TY - CONF
TI - The Effects of Aromaticity and Reduced Bond Length Alternation on Linear and Third-Order Polarizabilities on Conjugated Organic Chromophores
AU - Gorman, C.B.
AU - Marder, S.R.
C2 - 1993///
C3 - Proceedings of the Materials Research Society
DA - 1993///
VL - 291
SP - 579–584
PB - Soc
ER -
TY - JOUR
TI - An Investigation of the Interrelationships between Linear Polarizability, First and Second Hyperpolarizabilities and Bond Length Alternation in Conjugated Donor-Acceptor Compounds
AU - Gorman, C.B.
AU - Marder, S.R.
T2 - Proceedings of the National Academy of Science
DA - 1993///
PY - 1993///
VL - 90
SP - 11297–11301
ER -
TY - CONF
TI - Optimization of the First and Second Hyperpolarizabilities of Organic Dyes
AU - Bourhill, G.H.
AU - Brédas, J.L.
AU - Cheng, L.-T.
AU - Friedli, A.C.
AU - Gorman, C.B.
AU - Marder, S.R.
AU - Meyers, F.
AU - Perry, J.W.
AU - Pierce, B.M.
AU - Skindhøj, J.
AU - Tiemann, B.G.
T3 - Technical Digest Series (Optical Society of America)
C2 - 1993///
C3 - Organic thin films for photonic applications : summaries of papers presented at the Organic Thin Films for Photonic Applications Topical Meeting
DA - 1993///
SP - 46
PB - Optical Society of America
ER -
TY - JOUR
TI - Pathway of H2 Desorption from Dihydride Si(100)
AU - Jing, Z.
AU - Whitten, J.L.
T2 - Physical Review B
AB - In the present paper, the pathway of ${\mathrm{H}}_{2}$ desorption from a dihydride species -${\mathrm{SiH}}_{2}$ on the Si(100) surface, -${\mathrm{SiH}}_{2}$\ensuremath{\rightarrow}-Si+${\mathrm{H}}_{2}$ (-Si represents a surface Si atom site), is investigated. This pathway involves the recombination of two H atoms bonded to the same surface silicon atom. A three-layer cluster that consists of 12 silicon atoms and 20 hydrogen saturators is used to simulate the Si(100) surface and ab initio self-consistent-field and configuration-interaction theory is used to treat the cluster and desorption reactions. With the correction of zero-point vibrational energies, the ${\mathrm{H}}_{2}$ desorption energy and activation barrier are computed to be 48 and 53 kcal/mol, respectively. The corresponding adsorption barrier is 5 kcal/mol. Considering the experimental uncertainty and the uncertainty of our calculations, we conclude that the barrier of ${\mathrm{H}}_{2}$ desorption from the dihydride surface via -${\mathrm{SiH}}_{2}$ is consistent with the experimental result.
DA - 1993/12/15/
PY - 1993/12/15/
DO - 10.1103/PhysRevB.48.17296
VL - 48
IS - 23
SP - 17296
ER -
TY - CONF
TI - Chemical Modification of Surface Steps on Si(111) Vicinal Wafers: A Bonding Model for Phase Changes in Second Harmonic Generation
AU - Jing, Z.
AU - Lucovsky, G.
AU - Whitten, J.L.
C2 - 1993///
C3 - MRS Online Proceedings Library
DA - 1993///
DO - 10.1557/PROC-318-287
VL - 318
SP - 287-292
ER -
TY - RPRT
TI - Fundamental studies of defect generation in amorphous silicon alloys grown by remote plasma-enhanced chemical-vapor deposition (Remote PECVD) Annual Subcontract Report 1 September 1990 - 31 August 1991
AU - Lucovsky, G.
AU - Nemanich, R.J.
AU - Bernholc, J.
AU - Whitten, J.
AU - Wang, C.
AU - Davidson, B.
AU - Williams, M.
AU - Lee, D.
AU - Bjorkman, C.
AU - Jing, Z.
A3 - National Renewable Energy Laboratory
AB - We demonstrated that the remote PECVD process can be used to deposit heavily doped n-type and p-type a-Si:H thin films. We optimized conditions for depositing undoped, near-intrinsic and heavily doped thin films of [mu]c(microcrystalline)-Si by remote PECVD. We extended the remote PECVD process to the deposition of undoped and doped a-Si,C:H and [mu]c-Si,C alloy films. We analyzed transport data for the dark conductivity in undoped and doped a-Si:H, a-Si,C:H, [mu]c-Si and [mu]c-Si,C films. We studied the properties of doped a-Si:H and [mu]c-Si in MOS capacitors using [approximately]10 [Omega]-cm p-type crystalline substrates and thermally grown Si0[sub 2] dielectric layers. We collaborated with a group at RWTH in Aachen, Germany, and studied the contributions of process induced defect states to the recombination of photogenerated electron pairs. We applied a tight-binding model to Si-Bethe lattice structures to investigate the effects of bond angle, and dihedral angle disorder. We used ab initio and empirical calculations to study non-random bonding arrangements in a-Si,O:H and doped a-Si:H films.
C6 - NREL/TP-451-4852
DA - 1993/1/1/
PY - 1993/1/1/
DO - 10.2172/6796766
M1 - NREL/TP-451-4852
PB - National Renewable Energy Laboratory
SN - NREL/TP-451-4852
ER -
TY - JOUR
TI - Mechanism of H2 desorption from monohydride Si(100)2 × 1H
AU - Jing, Z.
AU - Lucovsky, G.
AU - Whitten, J.L.
T2 - Surface Science
AB - Most recent experimental work on H2 desorption from the monohydride Si(100) surface seems to point to a pairwise desorption mechanism involving the concerted desorption of two hydrogen atoms on different Si atoms of a single dimer. Using ab initio SCF and CI theory and a cluster model of the surface, the present work finds that the lowest energy pathway is symmetric rather than asymmetric. The desorption energy barrier is calculated to be 3.7 eV. Compared with an experimental value of 2.6 eV, the large barrier suggests that this direct desorption mechanism is not applicable. A multi-step desorption mechanism which involves a delocalized process in the formation of dihydride SiH2 and a localized desorption of H2 is proposed and is shown to explain the experimental observations.
DA - 1993/11//
PY - 1993/11//
DO - 10.1016/0039-6028(93)90022-c
VL - 296
IS - 3
SP - L33-L37
J2 - Surface Science
LA - en
OP -
SN - 0039-6028
UR - http://dx.doi.org/10.1016/0039-6028(93)90022-c
DB - Crossref
ER -
TY - JOUR
TI - Reaction of CH4 with substitutional Fe/Ni(111)
AU - Hong, Yang
AU - Whitten, Jerry L.
T2 - Surface Science
AB - The reaction of CH4 with a substitutional Fe/Ni(111) surface is treated using a many-electron embedding theory, modelling the lattice as a 41-atom, three layer cluster. Ab initio valence orbital configuration interaction (multiple parent) calculations carried out on a local surface region permit an accurate description of bonding at the surface. The 3d orbitals are explicitly used for the Fe atom and six nearest neighbor Ni atoms in the local surface region. The calculated activation energy for CH4 dissociation at an atop Fe site to produce CH3 and H coadsorbed on the surface is 5.7 kcal/mol, compared with 16.7 kcal/mol on Ni(111). The reaction of CH4 → CH3(ads) + H(ads) is predicted to be 4 kcal/mol exothermic on the Fe/Ni(111) surface and the immediate dissociation products are CH3 and H coadsorbed at across atom three-fold sites. Across bond dissociation is energetically very unfavorable. The bonding properties of coadsorbed CH3 and H on the Fe/Ni(111) surface are similar to those on the Ni(111) surface. Compared to the clean Ni(111), the substitutional Fe/Ni(111) surface is very effective in activating CH4.
DA - 1993/5//
PY - 1993/5//
DO - 10.1016/0039-6028(93)90885-n
VL - 289
IS - 1-2
SP - 30-38
J2 - Surface Science
LA - en
OP -
SN - 0039-6028
UR - http://dx.doi.org/10.1016/0039-6028(93)90885-n
DB - Crossref
ER -
TY - JOUR
TI - Theoretical studies of H2 desorption from Si(100)–2×1H
AU - Jing, Z.
AU - Whitten, J. L.
T2 - The Journal of Chemical Physics
AB - Theoretical studies of H2 desorption from a cluster model of the Si(100)–2×1H surface show that the desorption pathway is symmetrical and has a desorption energy barrier of 3.75 eV and a corresponding adsorption energy barrier of 1.15 eV. The proper treatment of electron correlation lowers the desorption energy barrier considerably. The present results suggest that the desorption of two hydrogen atoms from different Si atoms of a surface dimer is not the desorption pathway observed experimentally at activation energies in the range 2.0–2.9 eV.
DA - 1993/5//
PY - 1993/5//
DO - 10.1063/1.464685
VL - 98
IS - 9
SP - 7466-7470
J2 - The Journal of Chemical Physics
LA - en
OP -
SN - 0021-9606 1089-7690
UR - http://dx.doi.org/10.1063/1.464685
DB - Crossref
ER -
TY - JOUR
TI - Theoretical studies of surface reactions: embedded cluster theory
AU - Whitten, J.L.
T2 - Chemical Physics
AB - A theoretical approach to the description of the electronic structure of molecules adsorbed on solid surfaces and surface reactions is described. The objective is a quantitative, molecular level, understanding of surface processes, including chemisorption energetics, adsorbate structure and reaction mechanisms. The electronic structure problem is formulated as an embedded cluster of atoms in which a localization transformation is used to define the electronic subspace that interacts strongly with the adsorbate and surface region. This permits ab initio SCF and CI calculations of molecular quality to be performed on a portion of the lattice—adsorbate system. Assumptions of the theory are discussed and applications to chemisorption on transition metal substrates are referenced.
DA - 1993/11//
PY - 1993/11//
DO - 10.1016/0301-0104(93)80020-a
VL - 177
IS - 2
SP - 387-397
J2 - Chemical Physics
LA - en
OP -
SN - 0301-0104
UR - http://dx.doi.org/10.1016/0301-0104(93)80020-a
DB - Crossref
ER -
TY - JOUR
TI - Effects of subsurface Na, H and C on the bonding of carbon to nickel surfaces
AU - Yang, Hong
AU - Whitten, Jerry L.
AU - Markunas, Robert J.
T2 - Surface Science Letters
AB - This paper reports the results of a theoretical study of Na, H and C subsurface atomic species in nickel and demonstrates how these interstitial atoms influence the reactivity of the Ni(111) surface and the structure of carbon species adsorbed on the surface. The benzene molecule, C6H6, in planar and nonplanar geometries, is used to probe bonding at the surface. Adsorption energies are calculated by ab initio configuration techniques modelling the surface as an embedded cluster. Adsorption energies of planar C6H6 at the most stable, three-fold, adsorption site are 18 kcal/mol for the Ni(111) surface, and 10, 19 and 44 kcal/mol in the presence of the Na, H and C interstitials, respectively. The energies required for the planar to puckered distortion are 99 kcal/mol on Ni(111), 69 kcal/mol with the Na interstitial, 83 kcal/mol with H, and 134 kcal/mol with C compared to 198 kcal/mol for distortion of C6H6 in the gas phase. The possible relevance of these results to the nucleation of diamond on nickel are discussed. The results indicate that subsurface Na stabilizes tetrahedrally bonded carbon subunits of the diamond structure while subsurface C may make it easier for the overlayer to revert to a planar graphite structure.
DA - 1993/9//
PY - 1993/9//
DO - 10.1016/0167-2584(93)91086-4
VL - 294
IS - 3
SP - L945-L951
J2 - Surface Science Letters
LA - en
OP -
SN - 0167-2584
UR - http://dx.doi.org/10.1016/0167-2584(93)91086-4
DB - Crossref
ER -
TY - JOUR
TI - Dissociative adsorption of H2 on Ni(111)
AU - Yang, Hong
AU - Whitten, Jerry L.
T2 - The Journal of Chemical Physics
AB - Ab initio configuration interaction calculations are performed to study the dissociative adsorption of H2 on a Ni(111) surface. The lattice is modeled as an embedded three-layer 41-atom cluster. Ni 3d orbitals are explicitly included on seven Ni atoms on the surface. H is preferentially chemisorbed at a threefold site on Ni(111) and the calculated binding energy of 62 kcal/mol, H–Ni distance of 1.86 Å, and H vibrational frequency of 1176 cm−1 are in excellent agreement with experimental data. H adsorbed at bridge and on-top Ni sites is 2.5 and 8.1 kcal/mol less stable, respectively. The heat of reaction H2 (gas)→2 H (ads) is calculated to be 22.0 kcal/mol exothermic. When two H atoms are adsorbed as nearest neighbors to the same Ni atom, threefold sites are preferred with H atoms adsorbed at fcc–fcc, hcp–hcp, or across atom fcc–hcp sites. These structures are consistent with the observed (2×2)−2H low energy electron diffraction pattern. The average adsorption energy per H is calculated to be 62 kcal/mol for the across atom case. Adsorption of H at a threefold site on Ni(111) has a tendency to block adsorption at adjacent threefold sites; coadsorbed H atoms at adjacent sites are unbound by 13.5 kcal/mol relative to H2 at infinite separation. For three H atoms chemisorbed at separated threefold sites sharing a Ni atom with the equal H–H lateral distances of 2.48 Å, the calculated average adsorption energy is 60 kcal/mol per H. Dissociation of H2 at an on-top Ni site has the lowest activation barrier of 1.6 kcal/mol. For the transition state, the H–H bond length, H-surface height, and H–H vibrational frequency are 1.22 Å, 1.38 Å, and 2506 cm−1, respectively. Molecular H2 adsorbed over an on-top site is bound by 3.4 kcal/mol with a slightly stretched H–H bond length of 0.79 Å, H-surface height of 1.85 Å, and H–H stretching frequency of 3396 cm−1.
DA - 1993/3/15/
PY - 1993/3/15/
DO - 10.1063/1.464958
VL - 98
IS - 6
SP - 5039-5049
J2 - The Journal of Chemical Physics
LA - en
OP -
SN - 0021-9606 1089-7690
UR - http://dx.doi.org/10.1063/1.464958
DB - Crossref
ER -
TY - JOUR
TI - Evaluation of potential ferromagnetic coupling units: the bis(TMM) bis(trimethylenemethane)] approach to high-spin organic molecules
AU - Jacobs, S.J.
AU - Shultz, D.A.
AU - Jain, R.
AU - Novak, J.
AU - Dougherty, D.A.
T2 - Journal of the American Chemical Society
AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTEvaluation of potential ferromagnetic coupling units: the bis(TMM) [bis(trimethylenemethane)] approach to high-spin organic moleculesS. Joshua Jacobs, David A. Shultz, Rakesh Jain, Julie Novak, and Dennis A. DoughertyCite this: J. Am. Chem. Soc. 1993, 115, 5, 1744–1753Publication Date (Print):March 1, 1993Publication History Published online1 May 2002Published inissue 1 March 1993https://doi.org/10.1021/ja00058a020RIGHTS & PERMISSIONSArticle Views410Altmetric-Citations71LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (1 MB) Get e-Alerts Get e-Alerts
DA - 1993///
PY - 1993///
DO - 10.1021/ja00058a020
VL - 115
IS - 5
SP - 1744–1753
ER -
TY - CONF
TI - Preparation of meso-Tetra(4-galvinolphenyl)porphyrin — A Building Block for Molecular Magnetic Materials
AU - Schultz, D
T2 - National ACS Meeting
C2 - 1993///
CY - Chicago, Illinois
DA - 1993///
PY - 1993/8/22/
ER -
TY - CONF
TI - Macrocyclic Tetrapyrrole Assemblies as Building Blocks for Molecular Magnetic Materials
AU - Schultz, D
T2 - NC Sectional ACS Meeting
C2 - 1993///
CY - North Carolina State University, Raleigh, NC
DA - 1993///
PY - 1993/3/26/
ER -
TY - CONF
TI - Protein Monolayer Electrochemistry: A Strategy for Probing Biological Electron Transfer Kinetics
AU - Bowden, E.F.
AU - Clark, R.A.
AU - Willit, J.L.
AU - Song, S.
T2 - Fifth International Symposium on Redox Mechanisms and Interfacial Properties of Molecules of Biological Importance
A2 - Schultz, F.
A2 - Taniguchi, I.
T3 - Proceedings / Electrochemical Society
C2 - 1993///
C3 - Proceedings of the Fifth International Symposium on Redox Mechanisms and Interfacial Properties of Molecules of Biological Importance, 1993
CY - Honolulu, Hawaii
DA - 1993///
PY - 1993/5/16/
SP - 34–45
PB - The Electrochemical Society
ER -
TY - JOUR
TI - Preparation of meso-tetra(4-galvinolphenyl)porphyrin—A building block for molecular magnetic materials
AU - Shultz, David A.
AU - Knox, David A.
AU - Morgan, Larry W.
AU - Sandberg, Kay
AU - Tew, Gregory N.
T2 - Tetrahedron Letters
AB - The synthesis and oxidative electrochemistry of a free-radical substituted metalloporphyrin are described. The porphyrin is prepared in four steps in good yield. Oxidation at a platinum electrode shows the molecule undergoes five reversible one-electron transfers to a stable pentaradical.
DA - 1993/6//
PY - 1993/6//
DO - 10.1016/s0040-4039(00)60593-2
VL - 34
IS - 25
SP - 3975-3978
J2 - Tetrahedron Letters
LA - en
OP -
SN - 0040-4039
UR - http://dx.doi.org/10.1016/s0040-4039(00)60593-2
DB - Crossref
ER -
TY - JOUR
TI - Two new structural types for d3-d3 dimers of molybdenum and tungsten: [K(18-crown-6)]+[Mo2(OCH2But)7]- and [W2{P(c-hexyl)2}3(OCH2But)3{HP(c-hexyl)2}]
AU - Budzichowski, T.A.
AU - Chisholm, M.H.
AU - Martin, J.D.
AU - Huffman, J.C.
AU - Moodley, K.G.
AU - Streib, W.E.
T2 - Polyhedron
AB - Abstract The syntheses and structures (determined by single-crystal X-ray diffraction techniques) are reported for [K(18-crown-6)]+[Mo2(OCH2But)7]− and [W2{P(c-hexyl)3}3(OCH2But3{HP(c-hexyl)2}]. The former contains a single bridging (μ-OCH2But) ligand, six terminal alkoxide ligands and an MM triple bond. The latter contains three bridging (μ-PR2) ligands and an MM bond distance that is most consistent with the presence of a single bond. These two compounds are the first examples of M2L7 complexes with bridging ligands. They highlight the delicate balance of metal-metal vs metal-ligand bonding in the coordination chemistry of d3-d3 dimers of molybdenum and tungsten.
DA - 1993///
PY - 1993///
DO - 10.1016/S0277-5387(00)81733-7
VL - 12
IS - 3
SP - 343-345
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-1842778695&partnerID=MN8TOARS
ER -
TY - JOUR
TI - A tetranuclear tungsten carbido alkoxide cluster with a hydride ligand: W4(μ-C)(NMe)(OCH2But)11(H)
AU - Chisholm, M.H.
AU - Johnston, V.
AU - Martin, J.D.
AU - Lobkovsky, E.
AU - Huffman, J.C.
T2 - Journal of Cluster Science
DA - 1993///
PY - 1993///
DO - 10.1007/BF00702712
VL - 4
IS - 2
SP - 105-117
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-33748533735&partnerID=MN8TOARS
ER -
TY - JOUR
TI - [Et3PH][W4O3Cl7(PEt3)3]. A 12-electron tetrahedral tungsten cluster with an interesting arrangement of ligands
AU - Barry, J.T.
AU - Chacon, S.T.
AU - Chisholm, M.H.
AU - Folting, K.
AU - Martin, J.D.
T2 - Journal of Cluster Science
DA - 1993///
PY - 1993///
DO - 10.1007/BF00703742
VL - 4
IS - 3
SP - 259-269
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-34250081873&partnerID=MN8TOARS
ER -
TY - JOUR
TI - Triple bonds between tungsten atoms with ancillary dimesitylboroalkoxide ligands. Preparations, properties and structures of W2(NMe2)4[OB(Mes)2]2 and W2(OBut)4[OB(Mes)2]2
AU - Chisholm, M.H.
AU - Folting, K.
AU - Haubrich, S.T.
AU - Martin, J.D.
T2 - Inorganica Chimica Acta
AB - From the reaction between W2(NMe2)6 and dimesitylborinic acid, (Mes)2BOH (2 equiv.), in toluene, the golden- yellow crystalline compound W2(NMe2)4[OB(Mes)2]2 (1) has been isolated and characterized (elemental analysis, 1H, 13C{1H}, 11B NMR spectroscopy, IR spectroscopy and a single crystal X-ray diffraction study). At −160 °C, a=39.379(7), b=13.649(2), c=21.918(4) Å, β=123.12(1)°, Z=8 and space group C2/c. The compound W2(OBut)4[OB(Mes)2]2 (2) has been similarly characterized as a dark red crystalline compound obtained from the reaction between W2(OBut)6 and (Mes)2BOH (2 equiv.) in toluene. At −159 °C, a=17.164(2), b=19.773(2), c=18.490(2) Å, β=102.91(1)°, Z=4 and space group C2. In both compounds there are unsupported WW bonds of distance 2.3068(13) and 2.3521(15) Å for compound 1 and 2, respectively. In 1 there is a central ethane like W2N4O2 core with the gauche conformation, WN=1.94(2) (av.) and WO=1.93(1) Å. The coordination geometry at nitrogen is trigonal planar and the NC2 units are aligned along the WW axis as found for related compounds. In compound 2 the W2O4O′2 skeleton is eclipsed and most surprisingly the WO′ distances to the OB(Mes)2 ligands are shorter 1.81(1) Å than the WO distances 1.94(1) and 1.90(1) Å to the alkoxide ligands. In both 1 and 2 the coordination geometry at boron is trigonal planar and the OB distances fall in the range 1.37(3)–1.41(3) Å, and are statistically equivalent to that of the free borinic acid. Compound 2 has crystallographically imposed C2 symmetry and the OB(Mes)2 groups are syn. These are the first structurally characterized boroalkoxides coordinated to the (WW)6+ moiety and comparisons of WO π bonding are made with respect to related OR and OSiR3 compounds.
DA - 1993///
PY - 1993///
DO - 10.1016/S0020-1693(00)83809-8
VL - 213
IS - 1-2
SP - 17-24
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0013399462&partnerID=MN8TOARS
ER -
TY - JOUR
TI - Doubly-hydrated hexafluoroacetylacetone as a tetradentate ligand: Synthesis, magnetochemistry, and thermal transformations of a MnIII 2 complex
AU - Bouwman, E.
AU - Caulton, K.G.
AU - Christou, G.
AU - Folting, K.
AU - Gasser, C.
AU - Hendrickson, D.N.
AU - Huffman, J.C.
AU - Lobkovsky, E.B.
AU - Martin, J.D.
AU - Michel, P.
AU - Tsai, H.-L.
AU - Xue, Z.
T2 - Inorganic Chemistry
DA - 1993///
PY - 1993///
VL - 32
IS - 16
SP - 3463-3470
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0001208732&partnerID=MN8TOARS
ER -
TY - JOUR
TI - A comparison of heterometallic alkoxide molecules containing copper(I) or copper(II) and zirconium
AU - Vaartstra, B.A.
AU - Samuels, J.A.
AU - Barash, E.H.
AU - Martin, J.D.
AU - Streib, W.E.
AU - Gasser, C.
AU - Caulton, K.G.
T2 - Journal of Organometallic Chemistry
AB - The synthesis, characterization and structure and thermal decomposition of ClCuIIZr2(OiPr)9 (1) and Cu2IZr2(OiPr)10 (2) are reported. Compound 1 has a CuZr2(μ3-OR)2(μ2-OR)3 central core, with chloride as a terminal ligand on copper. This paramagnetic CuII species is particularly interesting in that the 1H NMR signals of those alkoxides which are μ2- and μ3-bridged to copper undergo paramagnetic shifts (to 8.66 and 10.41 ppm at 25°C), but those of the remaining alkoxide groups are unperturbed from the region characteristic of the Zr2(OiPr)9− unit. Compound 2 consists of a Zr2(OiPr)9− face-sharing bioctahedron with two μ2-alkoxides bridging to a Cu2IOR+ fragment giving the copper a linear two-coordinate environment. Both 1 and 2 are highly soluble in hydrocarbon solvents. TGA studies of both compounds reveal information on possible mechanisms and products of thermolysis.
DA - 1993///
PY - 1993///
DO - 10.1016/0022-328X(93)80123-S
VL - 449
IS - 1-2
SP - 191-201
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0006936601&partnerID=MN8TOARS
ER -
TY - JOUR
TI - Structural and electronic study of donors composed of two TTF moieties linked by tellurium bridges
AU - Martin, J.D.
AU - Canadell, E.
AU - Becker, J.Y.
AU - Bernstein, J.
T2 - Chemistry of Materials
DA - 1993///
PY - 1993///
VL - 5
IS - 9
SP - 1199-1203
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0000673352&partnerID=MN8TOARS
ER -
TY - JOUR
TI - Carbon-carbon coupling of a μ-ethynyl ligand with an isocyanide at a ditungsten center. Preparation and structure of W2(μ-CCCNHXyl)(OSiMe2BUt) 5(CNXyl)4, where Xyl = 2,6-Me2C6H3
AU - Chisholm, M.H.
AU - Cook, C.M.
AU - Huffman, J.C.
AU - Martin, J.D.
T2 - Organometallics
DA - 1993///
PY - 1993///
VL - 12
IS - 6
SP - 2354-2359
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0011476262&partnerID=MN8TOARS
ER -
TY - JOUR
TI - A new vanadium(V) persulfide complex: (NEt4)[VO(S2)2(bpy)]
AU - Castro, S.L.
AU - Martin, J.D.
AU - Christou, G.
T2 - Inorganic Chemistry
DA - 1993///
PY - 1993///
VL - 32
IS - 13
SP - 2978-2980
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0000312966&partnerID=MN8TOARS
ER -
TY - CONF
TI - Third-order polarizabilities of symmetric and nonsymmetric polyene and cyanine-like organic molecules
AU - Bourhill, Grant
AU - Mansour, Kamjou
AU - Tiemann, Bruce G.
AU - Gorman, Christopher B.
AU - Biddle, Shawnna
AU - Marder, Seth R.
AU - Perry, Joseph W.
T2 - OE/LASE'93: Optics, Electro-Optics, & Laser Applications in Science& Engineering
A2 - Rentzepis, Peter M.
AB - The second hyperpolarizability, (gamma) , of the donor-acceptor polyene compounds (CH3)2N-(CHequalsCH)3-CHO, 3, (CH3CH2CH2CH2)2N- (CHequalsCH)2-CHequalsC(CN)2, 4, the cyanine compound [CH2CH2OCH2CH2-N-(CHequalsCH)3-CHequalsN-CH2CH2OCH2CH2]+ClO4-, 5, and the linear polyenes CH3- (CHequalsCH)n-CH3, where n equals 4, 1, or 5, 2, have been measured by third harmonic generation (THG) at 1907 nm, in a series of solvents ranging in polarity from CCl4 to CH3OH. It was found that 3, with the moderately strong formyl acceptor, had positive values of (gamma) which exhibit a peak as a function of solvent polarity. In contrast, 4, with the stronger dicyanovinyl acceptor, had positive (gamma) in very nonpolar solvents but increasingly negative (gamma) values in solvents of moderate to high polarity. These solvent- dependent hyperpolarizabilities are associated with a change in geometry from a highly bond length alternated, polyene-like structure for the formyl-substituted compound in nonpolar solvents, to a cyanine-like structure, with very little bond length alternation, for the dicyanovinyl-substituted compound in polar solvents.
C2 - 1993/4/27/
C3 - Organic and Biological Optoelectronics
DA - 1993/4/27/
DO - 10.1117/12.144063
PB - SPIE
UR - http://dx.doi.org/10.1117/12.144063
DB - Crossref
ER -
TY - JOUR
TI - Hydroxyl radical production in the reactions of copper-containing amine oxidases with substrates
AU - Castellano, F.N.
AU - He, Z.
AU - Greenaway, F.T.
T2 - BBA - General Subjects
AB - Solutions of porcine kidney diamine oxidase, PKDAO, and bovine plasma amine oxidase, BPAO, were saturated with the spin-trapping agent alpha-phenyl-N-t-butylnitrone, PBN, and incubated with cadaverine or benzylamine substrate, respectively, under aerobic conditions. EPR spectra due to trapped hydroxyl radicals were obtained for both enzymes with no evidence of superoxide formation. Under anaerobic conditions, hydroxyl radicals were formed only when H2O2 was present as well as substrate. Catalase prevented hydroxyl radical formation by PKDAO but not BPAO. The results indicate that hydroxyl radical is produced in the reaction of the product H2O2 with the reduced enzymes and therefore may be important in turnover-related enzyme degradation, but is not a true reaction intermediate.
DA - 1993///
PY - 1993///
DO - 10.1016/0304-4165(93)90060-L
VL - 1157
IS - 3
SP - 162-166
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0027270510&partnerID=MN8TOARS
KW - SPIN TRAP
KW - DIAMINE OXIDASE
KW - PLASMA AMINE OXIDASE
KW - HYDROXYL RADICAL
KW - EPR
ER -
TY - JOUR
TI - Simultaneous multi-site EPR spectroscopyin vivo
AU - Smirnov, Alex I.
AU - Norby, Shong-Wan
AU - Clarkson, R. B.
AU - Walczak, Ted
AU - Swartz, Harold M.
T2 - Magn. Reson. Med.
AB - Abstract A gradient technique to measure electron paramagnetic resonance spectra simultaneously at several different locations is described. The technique is based on the use of point probes containing paramagnetic centers. The value of the magnetic field gradient is chosen to be sufficient to separate the EPR signals from the different paramagnetic probes yet at the same time small enough to change only minimally the shape of individual signals. The conditions to apply this technique are considered in detail. When experimental data have a high signal‐to‐noise ratio, the lineshape distortion induced by the gradient can be corrected with the aid of a known distribution function of paramagnetic centers within the probe. The maximum entropy deconvolution algorithm is successfully applied for the correction of significantly distorted lines. The technique is experimentally tested and applied to measure the concentration of oxygen in hypertrophied rat myocardium and normal rat kidney in vivo by low frequency EPR (L‐band, 1.2 GHz). No types of EPR oxygen‐sensitive probes‐lithium phthalocyanine crystals and synthetic carbohydrate chars‐were used.
DA - 1993/8//
PY - 1993/8//
DO - 10.1002/mrm.1910300210
VL - 30
IS - 2
SP - 213-220
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-0027312643&partnerID=MN8TOARS
KW - ELECTRON PARAMAGNETIC RESONANCE
KW - OXIMETRY
KW - CARBONACEOUS MATERIALS
KW - MYOCARDIUM
ER -
TY - JOUR
TI - VOLTAMMETRIC CHARACTERIZATION OF SOLUBLE POLYACETYLENE DERIVATIVES OBTAINED FROM THE RING-OPENING METATHESIS POLYMERIZATION (ROMP) OF SUBSTITUTED CYCLOOCTATETRAENES
AU - JOZEFIAK, TH
AU - GINSBURG, EJ
AU - GORMAN, CB
AU - al.,
T2 - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DA - 1993///
PY - 1993///
VL - 115
IS - 11
SP - 4705-4713
ER -
TY - JOUR
TI - STRONGER ACCEPTORS CAN DIMINISH NONLINEAR OPTICAL-RESPONSE IN SIMPLE DONOR-ACCEPTOR POLYENES
AU - MARDER, , SR
AU - GORMAN, CB
AU - TIEMANN, BG
AU - al.,
T2 - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DA - 1993///
PY - 1993///
VL - 115
IS - 7
SP - 3006-3007
ER -
TY - JOUR
TI - SOLUBLE, HIGHLY CONJUGATED DERIVATIVES OF POLYACETYLENE FROM THE RING-OPENING METATHESIS POLYMERIZATION OF MONOSUBSTITUTED CYCLOOCTATETRAENES - SYNTHESIS AND THE RELATIONSHIP BETWEEN POLYMER STRUCTURE AND PHYSICAL-PROPERTIES
AU - GORMAN, CB
AU - GINSBURG, EJ
AU - GRUBBS, RH
T2 - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DA - 1993///
PY - 1993///
VL - 115
IS - 4
SP - 1397-1409
ER -
TY - JOUR
TI - RELATION BETWEEN BOND-LENGTH ALTERNATION AND 2ND ELECTRONIC HYPERPOLARIZABILITY OF CONJUGATED ORGANIC-MOLECULES
AU - MARDER, , SR
AU - PERRY, JW
AU - BOURHILL, G
AU - al.,
T2 - SCIENCE
DA - 1993///
PY - 1993///
VL - 261
IS - 5118
SP - 186-189
ER -
TY - JOUR
TI - DIRECT OBSERVATION OF REDUCED BOND LENGTH ALTERNATION IN DONOR-ACCEPTOR POLYENES
AU - MARDER, , SR
AU - PERRY, JW
AU - TIEMANN, BG
AU - al.,
T2 - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DA - 1993///
PY - 1993///
VL - 115
IS - 6
SP - 2524-2526
ER -
TY - JOUR
TI - AN INVESTIGATION OF THE INTERRELATIONSHIPS BETWEEN LINEAR AND NONLINEAR POLARIZABILITIES AND BOND-LENGTH ALTERNATION IN CONJUGATED ORGANIC-MOLECULES
AU - GORMAN, CB
AU - MARDER, , SR
T2 - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
DA - 1993///
PY - 1993///
VL - 90
IS - 23
SP - 11297-11301
ER -
TY - JOUR
TI - Dramatic stabilization of ferricytochrome c upon reduction
AU - Hilgen-Willis, Sharon
AU - Pielak, Gary J.
AU - Bowden, Edmond F.
T2 - Journal of Inorganic Biochemistry
AB - By combining measurements of the free energy of denaturation of the C102T variant of Saccharomyces cerevisiae iso-1-ferricytochrome c with determination of the formal potentials for the native and chemically-denatured states we have determined the free energy of denaturation of the ferro form of the protein. We report that the simplest of all chemical modifications, addition of an electron, increases the stability of ferricytochrome c by approximately 10 kcal mol−1 at 300 K, pH 4.6. This makes reduced cytochrome c one of the most stable proteins yet investigated.
DA - 1993/8//
PY - 1993/8//
DO - 10.1016/0162-0134(93)85036-8
VL - 51
IS - 3
SP - 649-653
J2 - Journal of Inorganic Biochemistry
LA - en
OP -
SN - 0162-0134
UR - http://dx.doi.org/10.1016/0162-0134(93)85036-8
DB - Crossref
ER -
TY - JOUR
TI - Application of square wave voltammetry to strongly adsorbed quasireversible redox molecules
AU - Reeves, James H.
AU - Song, Shihua.
AU - Bowden, Edmond F.
T2 - Analytical Chemistry
AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTApplication of square wave voltammetry to strongly adsorbed quasireversible redox moleculesJames H. Reeves, Shihua. Song, and Edmond F. BowdenCite this: Anal. Chem. 1993, 65, 6, 683–688Publication Date (Print):March 1, 1993Publication History Published online1 May 2002Published inissue 1 March 1993https://doi.org/10.1021/ac00054a006RIGHTS & PERMISSIONSArticle Views655Altmetric-Citations72LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (689 KB) Get e-Alerts Get e-Alerts
DA - 1993/3//
PY - 1993/3//
DO - 10.1021/ac00054a006
VL - 65
IS - 6
SP - 683-688
J2 - Anal. Chem.
LA - en
OP -
SN - 0003-2700 1520-6882
UR - http://dx.doi.org/10.1021/ac00054a006
DB - Crossref
ER -
TY - JOUR
TI - CONTINUOUS-FLOW FAST-ATOM-BOMBARDMENT LIQUID-CHROMATOGRAPHY MASS-SPECTROMETRY OF CAROTENOIDS
AU - VANBREEMEN, RB
AU - SCHMITZ, HH
AU - SCHWARTZ, SJ
T2 - ANALYTICAL CHEMISTRY
AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTContinuous-flow fast-atom-bombardment liquid chromatography/mass spectrometry of carotenoidsRichard B. Van Breemen, Harold H. Schmitz, and Steven J. SchwartzCite this: Anal. Chem. 1993, 65, 8, 965–969Publication Date (Print):April 15, 1993Publication History Published online1 May 2002Published inissue 15 April 1993https://doi.org/10.1021/ac00056a003RIGHTS & PERMISSIONSArticle Views181Altmetric-Citations39LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (524 KB) Get e-Alerts Get e-Alerts
DA - 1993/4/15/
PY - 1993/4/15/
DO - 10.1021/ac00056a003
VL - 65
IS - 8
SP - 965-969
SN - 1520-6882
ER -
TY - PAT
TI - Optically pure D,E ring intermediates useful for the synthesis of camptothecin and camptothecin analogs
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Methods and intermediates for the assymmetric synthesis of camptothecin and camptothecin analogs
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Method of making intermediates useful for the manufacture of camptothecin and camptothecin analogs
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - D ring intermediates for the synthesis of camptothecin and camptothecin analogs
AU - Comins, D. L.
AU - Baevsky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Cycloalkyl-based chiral auxiliaries and method making the same
AU - Comins, D. L.
AU - Salvador, J. M.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Camptothecin intermediates and method of making same
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Camptothecin intermediate and method of making camptothecin intermediates
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Alkylpyridone DE ring intermediates useful for the manufacture of camptothecin and camptothecin analogs
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - PAT
TI - Alkoxymethylpyridine d-ring intermediates useful for the synthesis of camptpthecin and camptothecin analogs
AU - Comins, D. L.
AU - Baesky, M. F.
C2 - 1993///
DA - 1993///
PY - 1993///
ER -
TY - JOUR
TI - CHARACTERIZATION OF CYTOCHROME-C ALKANETHIOLATE STRUCTURES PREPARED BY SELF-ASSEMBLY ON GOLD
AU - SONG, S
AU - CLARK, RA
AU - BOWDEN, EF
AU - TARLOV, MJ
T2 - JOURNAL OF PHYSICAL CHEMISTRY
AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleCharacterization of cytochrome c/alkanethiolate structures prepared by self-assembly on goldShihua Song, Rose A. Clark, Edmond F. Bowden, and Michael J. TarlovCite this: J. Phys. Chem. 1993, 97, 24, 6564–6572Publication Date (Print):June 1, 1993Publication History Published online1 May 2002Published inissue 1 June 1993https://doi.org/10.1021/j100126a037RIGHTS & PERMISSIONSArticle Views1514Altmetric-Citations340LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (2 MB) Get e-Alerts
DA - 1993/6/17/
PY - 1993/6/17/
DO - 10.1021/j100126a037
VL - 97
IS - 24
SP - 6564-6572
SN - 0022-3654
ER -