Works (17)

Updated: July 10th, 2023 21:16

2017 journal article

Hard x-ray-induced valence tautomeric interconversion in cobalt-o-dioxolene complexes

Journal of Physical Chemistry Letters, 8(19), 4774–4778.

By: T. Francisco, W. Gee, H. Shepherd, M. Warren, D. Shultz, P. Raithby, C. Pinheiro

Source: NC State University Libraries
Added: August 6, 2018

2017 journal article

Heterospin biradicals provide insight into molecular conductance and rectification

Chemical Science, 8(8), 5408–5415.

By: M. Kirk*, D. Shultz n, J. Zhang n, R. Dangi*, L. Ingersol*, J. Yang*, N. Finney*, R. Sommer n, L. Wojtas*

TL;DR: Properties of two isomeric triplet ground state biradical molecules, which serve as constant-bias analogs of single-molecule electronic devices, are described and experimental results are compared with transport calculations in a device geometry. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries, Crossref
Added: August 6, 2018

2013 journal article

Electronic and Exchange Coupling in a Cross-Conjugated D–B–A Biradical: Mechanistic Implications for Quantum Interference Effects

Journal of the American Chemical Society, 135(39), 14713–14725.

By: M. Kirk*, D. Shultz n, D. Stasiw n, D. Habel-Rodriguez*, B. Stein* & P. Boyle n

TL;DR: The results reveal important excited-state contributions to the ground-state singlet-triplet splitting in this cross-conjugated D-B-A biradical that contribute to the understanding of electronic coupling in cross- Conjugated molecules and specifically to quantum interference effects. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2013 journal article

Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor–Bridge–Acceptor Biradical Complexes

Journal of the American Chemical Society, 135(45), 17144–17154.

By: M. Kirk*, D. Shultz n, D. Stasiw n, G. Lewis n, G. Wang n, C. Brannen n, R. Sommer n, P. Boyle n

TL;DR: The work provides a direct measurement of superexchange contributions to β, with no contribution from incoherent hopping, and offers unique insight into the intrinsic molecular factors that govern H(DA) and β, which are important for understanding the electronic origin of electron transfer and electron transport mediated by molecular bridges. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries, Crossref
Added: August 6, 2018

2013 review

Transition metal complexes of donor-acceptor biradicals

[Review of ]. Coordination Chemistry Reviews, 257(1), 218–233.

By: M. Kirk & D. Shultz

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Linear free-energy relationships in semiquinone species and their Mn(II) and Cu(II) complexes

Journal of Physical Organic Chemistry, 25(2), 101–109.

By: J. Sloop, D. Shultz, M. Marcus & B. Shepler

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Spectroscopic Studies of Bridge Contributions to Electronic Coupling in a Donor-Bridge-Acceptor Biradical System

Journal of the American Chemical Society, 134(18), 7812–7819.

By: M. Kirk*, D. Shultz n, E. Depperman*, D. Habel-Rodriguez* & R. Schmidt n

MeSH headings : Benzene / chemistry; Benzoquinones / chemistry; Electron Transport; Electrons; Models, Molecular; Nitrogen Oxides / chemistry; Spectrum Analysis, Raman; Zinc / chemistry
TL;DR: The results show the importance of the phenylene bridge in promoting (1) electron transfer in D-Ph-A systems and (2) electron transport in biased electrode devices that employ a 1,4-phenylene linkage. (via Semantic Scholar)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2011 journal article

Nitronyl Nitroxide Radicals as Organic Memory Elements with Both n- and p-Type Properties

Angewandte Chemie International Edition, 50(19), 4414–4418.

By: J. Lee*, E. Lee*, S. Kim*, G. Bang*, D. Shultz n, R. Schmidt n, M. Forbes*, H. Lee n

author keywords: electron paramagnetic resonance; memory devices; molecular electronics; nitrogen radicals; organic radicals
TL;DR: Novel molecular radical memory behavior using a stable organic radical molecule that contains an unpaired electron that is capable of undergoing oxidation or reduction by applied bias voltages is reported. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2011 journal article

Synthesis of and structure-property relationships in zinc complexes of bis-metaphenylene semiquinone biradical species

Journal of Physical Organic Chemistry, 25(4), 314–321.

By: J. Sloop*, D. Shultz n, T. Coote n, B. Shepler*, U. Sullivan n, J. Kampf*, P. Boyle n

author keywords: bis(metaphenylene) semiquinone biradicals; electron paramagnetic resonance; SQUID magnetometry; substituent effects
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2010 journal article

Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis

Journal of the American Chemical Society, 132(17), 6261–6273.

By: R. Schmidt n, D. Shultz n, J. Martin n & P. Boyle n

Contributors: R. Schmidt n, D. Shultz n, J. Martin n & P. Boyle n

TL;DR: The coordination geometry (trans-pyridines), pyridine substitution, and crystal packing forces conspire to create the comparatively thermally stable photogenerated hs-Co(II) tautomer, thus providing an excellent handle for molecular and crystal engineering studies. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2009 journal article

Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization

Journal of the American Chemical Society, 131(51), 18304–18313.

By: M. Kirk n, D. Shultz n, R. Schmidt n, D. Habel-Rodriguez n, H. Lee n & J. Lee n

MeSH headings : Electrons; Ferric Compounds / chemistry; Free Radicals / chemistry; Magnetics; Organometallic Compounds / chemistry; Temperature
TL;DR: It is shown that ferromagnetic coupling promoted by organic mixed-valency provides keen insight into the ability of single molecules to communicate spin information over nanoscale distances. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: NC State University Libraries, Crossref, NC State University Libraries
Added: August 6, 2018

2007 journal article

Donor−Acceptor Biradicals as Ground State Analogues of Photoinduced Charge Separated States

Journal of the American Chemical Society, 129(7), 1937–1943.

By: M. Kirk n, D. Shultz n, E. Depperman n & C. Brannen n

MeSH headings : Benzoquinones / chemistry; Models, Molecular; Nitrogen Oxides / chemistry; Photochemistry; Spectroscopy, Near-Infrared; Spectrum Analysis, Raman; Thermodynamics
TL;DR: This methodology can be extended to determine the electronic coupling matrix element in related SQ-Bridge-NN molecules, which may be effectively determined for single molecules in a known geometry, provided a crystal structure exists for the biradical complex. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2007 journal article

Influence of Ligand Geometry in Bimetallic Ytterbocene Complexes of Bridging Bis(bipyridyl) Ligands

Organometallics, 26(17), 4234–4242.

By: C. Carlson n, C. Kuehl n, L. Ogallo n, D. Shultz n, J. Thompson n, M. Kirk n, R. Martin n, K. John n, D. Morris n

Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2007 journal article

Substituent Effects on Exchange Coupling:  5-Aryl-Substituted Semiquinones and Their Complexes with MnIIand CuII

Inorganic Chemistry, 46(1), 273–277.

By: D. Shultz n, J. Sloop n, T. Coote n, M. Beikmohammadi n, J. Kampf n & P. Boyle n

TL;DR: For the MnII complexes, electron-withdrawing substituents on the phenyl ring have greater ferromagnetic J values than the CuII complexes of SQ ligands with electron-donating substituent, which suggests a FM contribution from MLCT excited states in the copper complexes. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2006 journal article

Design, Synthesis, and Properties of Conformationally Fixed Semiquinone Monoradical Species

The Journal of Organic Chemistry, 71(24), 9104–9113.

By: D. Shultz n, J. Sloop n & G. Washington n

TL;DR: Using both electron paramagnetic resonance spectroscopy and quantum chemical calculations, it is shown how spin density is affected by the fused ring system substituents. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2006 journal article

Electron Spin−Spin Exchange Coupling Mediated by the Porphyrin π System

Inorganic Chemistry, 45(15), 5752–5759.

By: D. Shultz n, C. Mussari n, K. Ramanathan n & J. Kampf n

MeSH headings : Chemistry / methods; Dimerization; Electron Spin Resonance Spectroscopy; Electrons; Magnetics; Models, Chemical; Models, Molecular; Molecular Conformation; Nitric Oxide / chemistry; Porphyrins / chemistry; Spectrophotometry; Temperature; Zinc / chemistry
TL;DR: The syntheses and electron paramagnetic resonance (EPR) spectral characterizations of porphyrins (1-3) substituted with two radical groups bound to trans-meso positions are described and no evidence was observed for conformational modulation of J by rotation about single bonds as shown by the lack of change of the EPR spectra as a function of temperature. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2006 journal article

Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior

Inorganic Chemistry, 45(11), 4461–4467.

By: S. Bin-Salamon n, S. Brewer n, E. Depperman n, S. Franzen n, J. Kampf n, M. Kirk n, R. Kumar n, S. Lappi n ...

TL;DR: The results highlight the necessity of studying both crystalline and amorphous samples to distinguish the effects of intrinsic electronic structure and intermolecular forces on valence tautomeric behavior. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries, Crossref
Added: August 6, 2018

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