@article{mcowen_delp_paillard_herriot_han_boyle_sommer_henderson_2014, title={Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI}, volume={118}, DOI={10.1021/jp412601x}, abstractNote={Lithium 4,5-dicyano-1,2,3-triazolate (LiDCTA) and lithium 2-trifluoromethyl-4,5-dicyanoimidazole (LiTDI) are two salts proposed for lithium battery electrolyte applications, but little is known about the manner in which the DCTA– and TDI– anions coordinate Li+ cations. To explore this in depth, crystal structures are reported here for two solvates with LiDCTA—(G2)1:LiDCTA and (G1)1:LiDCTA—with diglyme and monoglyme, respectively; and seven solvates with LiTDI—(G1)2:LiTDI, (G2)2:LiTDI, (G3)1:LiTDI, (THF)1:LiTDI, (EC)1:LiTDI, (PC)1:LiTDI, and (DMC)1/2:LiTDI—with monoglyme, diglyme, triglyme, tetrahydrofuran, ethylene carbonate, propylene carbonate, and dimethyl carbonate, respectively. These latter solvate structures are compared with the previously reported acetonitrile (AN)2:LiTDI structure. The solvates indicate that the LiTDI salt is much less associated than the LiDCTA salt and that the ions in LiTDI, when aggregated in solvates, have a very similar TDI–···Li+ cation mode of coordination through both the anion ring and cyano nitrogen atoms. Such coordination facilitates the formation of polymeric ion aggregates, instead of dimers. Insight into such ion speciation is instrumental for understanding the electrolyte properties of aprotic solvent mixtures with these salts.}, number={15}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={McOwen, Dennis W. and Delp, Samuel A. and Paillard, Elie and Herriot, Cristelle and Han, Sang-Don and Boyle, Paul D. and Sommer, Roger D. and Henderson, Wesley A.}, year={2014}, month={Mar}, pages={7781–7787} }
 @article{allen_mcowen_delp_fox_dickmann_han_zhou_jow_henderson_2013, title={N-Alkyl-N-methylpyrrolidinium difluoro(oxalato)borate ionic liquids: Physical/electrochemical properties and Al corrosion}, volume={237}, journal={Journal of Power Sources}, author={Allen, J. L. and McOwen, D. W. and Delp, S. A. and Fox, E. T. and Dickmann, J. S. and Han, S. D. and Zhou, Z. B. and Jow, T. R. and Henderson, W. A.}, year={2013}, pages={104–111} }
 @article{delp_goj_pouy_munro-leighton_lee_gunnoe_cundari_petersen_2010, title={Well-Defined Copper(I) Amido Complex and Aryl Iodides Reacting to Form Aryl Amines}, volume={30}, DOI={10.1021/om101084e}, abstractNote={The CuI complex (IPr)Cu(NHPh) {IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene} reacts with aryl iodides to form diaryl amine products and (IPr)Cu(I), which was confirmed by independent synthesis and characterization. For the reaction with iodobenzene, the products are diphenylamine and aniline. Protection of the hydrogen para to the iodo functionality with ortho-methyl groups results in quantitative conversion to diaryl amine. Combined computational and experimental studies suggest that C−N bond formation most likely occurs via an oxidative addition/reductive elimination sequence.}, number={1}, journal={Organometallics}, author={Delp, Samuel A. and Goj, Laurel A. and Pouy, Mark J. and Munro-Leighton, Colleen and Lee, John P. and Gunnoe, T. Brent and Cundari, Thomas R. and Petersen, Jeffrey L.}, year={2010}, month={Dec}, pages={55–57} }
 @article{munro-leighton_delp_blue_gunnoe_2007, title={Addition of N−H and O−H Bonds of Amines and Alcohols to Electron-Deficient Olefins Catalyzed by Monomeric Copper(I) Systems:  Reaction Scope, Mechanistic Details, and Comparison of Catalyst Efficiency}, DOI={10.1021/om061133h}, abstractNote={Monomeric copper(I) amido, alkoxide, and aryloxide complexes catalyze the addition of N−H and O−H bonds of amines and alcohols, respectively, to electron-deficient olefins. The ancillary ligands of the active catalysts include the N-heterocyclic carbene (NHC) ligands IPr, IMes, and SIPr {IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene; IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene; SIPr = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene} as well as the chelating bisphosphine ligand dtbpe {dtbpe = 1,2-bis(di-tert-butylphosphino)ethane}. For the hydroamination and hydroalkoxylation of olefins, both aromatic and alkyl substituents can be incorporated into the nucleophile, and both primary and secondary amines are reactive. Monosubstituted and disubstituted olefins have been demonstrated to undergo reaction. For the addition of aniline to acrylonitrile, kinetic studies suggest a pathway that is dependent on the concentration of amine, olefin, and catalyst as well as inversely proportional to the concentration of the product 3-anilinopropionitrile. At low concentrations, the addition of tert-butylisonitrile increases the rate of catalysis. The proposed mechanism involves N−C or O−C bond formation by an intermolecular nucleophilic addition of the amido, alkoxide, or aryloxide ligand to free olefin.}, number={6}, journal={Organometallics}, author={Munro-Leighton, Colleen and Delp, Samuel A. and Blue, Elizabeth D. and Gunnoe, T. Brent}, year={2007}, month={Feb} }
 @article{delp_munro-leighton_goj_ramírez_gunnoe_petersen_boyle_2007, title={Addition of S−H Bonds across Electron-Deficient Olefins Catalyzed by Well-Defined Copper(I) Thiolate Complexes}, DOI={10.1021/ic070268s}, abstractNote={A series of monomeric (NHC)Cu(SR) (R = Ph or CH2Ph; NHC = N-heterocyclic carbene) complexes have been synthesized and fully characterized including single-crystal X-ray diffraction studies. These complexes catalyze the addition of S-H bonds across electron-deficient olefins to regioselectively produce "anti-Markovnikov" products.}, number={7}, journal={Inorganic Chemistry}, author={Delp, Samuel A. and Munro-Leighton, Colleen and Goj, Laurel A. and Ramírez, Magaly A. and Gunnoe, T. Brent and Petersen, Jeffrey L. and Boyle, Paul D.}, year={2007}, month={Mar} }
 @article{munro-leighton_delp_alsop_blue_gunnoe_2007, title={Anti-Markovnikov hydroamination and hydrothiolation of electron-deficient vinylarenes catalyzed by well-defined monomeric copper(<scp>i</scp>) amido and thiolate complexes}, DOI={10.1039/b715507g}, abstractNote={Monomeric Cu(I) amido and thiolate complexes that are supported by the N-heterocyclic carbene ligand 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (IPr) catalyze the hydroamination and hydrothiolation of electron-deficient vinylarenes with reactivity patterns that are consistent with an intermolecular nucleophilic addition of the amido/thiolate ligand of (IPr)Cu(XR) (X = NH or S; R = Ph, CH2Ph) to free vinylarene.}, number={1}, journal={Chemical Communications}, author={Munro-Leighton, Colleen and Delp, Samuel A. and Alsop, Nikki M. and Blue, Elizabeth D. and Gunnoe, T. Brent}, year={2007}, month={Oct} }
 @article{goj_blue_delp_gunnoe_cundari_pierpont_petersen_boyle_2006, title={Chemistry Surrounding Monomeric Copper(I) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by <i>N</i>-Heterocyclic Carbene Ligands:  Reactivity Consistent with Both Early and Late Transition Metal Systems}, DOI={10.1021/ic0611995}, abstractNote={Monomeric copper(I) alkyl complexes that possess the N-heterocyclic carbene (NHC) ligands IPr, SIPr, and IMes [IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene, SIPr = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene, IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene] react with amines or alcohols to release alkane and form the corresponding monomeric copper(I) amido, alkoxide, or aryloxide complexes. Thermal decomposition reactions of (NHC)Cu(I) methyl complexes at temperatures between 100 and 130 degrees C produce methane, ethane, and ethylene. The reactions of (NHC)Cu(NHPh) complexes with bromoethane reveal increasing nucleophilic reactivity at the anilido ligand in the order (SIPr)Cu(NHPh) < (IPr)Cu(NHPh) < (IMes)Cu(NHPh) < (dtbpe)Cu(NHPh) [dtbpe = 1,2-bis(di-tert-butylphosphino)ethane]. DFT calculations suggest that the HOMO for the series of Cu anilido complexes is localized primarily on the amido nitrogen with some ppi(anilido)-dpi(Cu) pi-character. [(IPr)Cu(mu-H)]2 and (IPr)Cu(Ph) react with aniline to quantitatively produce (IPr)Cu(NHPh)/dihydrogen and (IPr)Cu(NHPh)/benzene, respectively. Analysis of the DFT calculations reveals that the conversion of [(IPr)Cu(mu-H)]2 and aniline to (IPr)Cu(NHPh) and dihydrogen is favorable with DeltaH approximately -7 kcal/mol and DeltaG approximately -9 kcal/mol.}, number={22}, journal={Inorganic Chemistry}, author={Goj, Laurel A. and Blue, Elizabeth D. and Delp, Samuel A. and Gunnoe, T. Brent and Cundari, Thomas R. and Pierpont, Aaron W. and Petersen, Jeffrey L. and Boyle, Paul D.}, year={2006}, month={Sep} }
 @article{goj_blue_delp_gunnoe_cundari_petersen_2006, title={Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes:  Evidence for Reductive Elimination through Bimolecular Formation of Alkanes}, DOI={10.1021/om060409i}, abstractNote={Monomeric Cu(I) alkyl complexes (NHC)Cu(R) (NHC = N-heterocyclic carbene; R = Me or Et) and (dtbpe)Cu(Me) (dtbpe = 1,2-bis(di-tert-butylphosphino)ethane) have been prepared, isolated, and characterized. Single-electron oxidation of the Cu(I) alkyl complexes upon reaction with AgOTf to form putative Cu(II) intermediates of the type [(L)Cu(R)]+ (L = NHC or dtbpe, R = Me or Et) results in the rapid production of (L)Cu(X) (X = OTf) and R2. Experimental studies suggest that the reductive elimination of R2 from Cu(II) occurs through a nonradical bimolecular mechanism. Computational studies of the Cu−Cmethyl yield bond dissociation enthalpies of [(SIPr)Cu−CH3]n+ (80 kcal/mol for n = 0 {Cu(I)} and 38 kcal/mol for n = 1 {Cu(II)}).}, number={17}, journal={Organometallics}, author={Goj, Laurel A. and Blue, Elizabeth D. and Delp, Samuel A. and Gunnoe, T. Brent and Cundari, Thomas R. and Petersen, Jeffrey L.}, year={2006}, month={Jul} }