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Jason M. Keith - Publications

Affiliations: 
2013- Colgate University, Hamilton, NY, United States 
Area:
Computational Chemistry
Website:
http://www.colgate.edu/facultysearch/FacultyDirectory/jason-keith
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44 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Smiles DE, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Martin RL, Minasian SG, Shuh DK, Stieber SCE, Tyliszczak T. The duality of electron localization and covalency in lanthanide and actinide metallocenes. Chemical Science. 11: 2796-2809. PMID 34084340 DOI: 10.1039/c9sc06114b  0.79
2020 Spielvogel KD, Luna JA, Loria SM, Weisburn LP, Stumme NC, Ringenberg MR, Durgaprasad G, Keith JM, Shaw SK, Daly SR. Influence of Multisite Metal-Ligand Cooperativity on the Redox Activity of Noninnocent NS Ligands. Inorganic Chemistry. PMID 32639726 DOI: 10.1021/Acs.Inorgchem.0C01353  0.361
2020 Smiles DE, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Martin RL, Minasian SG, Shuh DK, Stieber SCE, Tyliszczak T. The duality of electron localization and covalency in lanthanide and actinide metallocenes Chemical Science. 11: 2796-2809. DOI: 10.1039/C9Sc06114B  0.783
2019 He T, Buttner JC, Reynolds EF, Pham J, Malek JC, Keith JM, Chianese AR. Dehydroalkylative Activation of CNN- and PNN-Pincer Ruthenium Catalysts for Ester Hydrogenation. Journal of the American Chemical Society. PMID 31589441 DOI: 10.1021/Jacs.9B09326  0.301
2019 Lee K, Blake A, Tanushi A, McCarthy S, Kim D, Loria S, Donahue C, Spielvogel K, Keith J, Daly S, Radosevich AT. Validating the Biphilic Hypothesis of Nontrigonal P(III) Compounds. Angewandte Chemie (International Ed. in English). PMID 30901511 DOI: 10.1002/Anie.201901779  0.522
2019 Le L, Liu J, He T, Malek JC, Cervarich TN, Buttner JC, Pham J, Keith JM, Chianese AR. Unexpected CNN-to-CC Ligand Rearrangement in Pincer–Ruthenium Precatalysts Leads to a Base-Free Catalyst for Ester Hydrogenation Organometallics. 38: 3311-3321. DOI: 10.1021/Acs.Organomet.9B00373  0.356
2018 Su J, Batista ER, Boland KS, Bone SE, Bradley JA, Cary SK, Clark DL, Conradson SD, Ditter AS, Kaltsoyannis N, Keith JM, Kerridge A, Kozimor SA, Löble MW, Martin RL, et al. Energy-Degeneracy-Driven Covalency in Actinide Bonding. Journal of the American Chemical Society. PMID 30540455 DOI: 10.1021/Jacs.8B09436  0.79
2018 Reilly SD, Su J, Keith JM, Yang P, Batista ER, Gaunt AJ, Harwood LM, Hudson MJ, Lewis FW, Scott BL, Sharrad CA, Whittaker DM. Plutonium coordination and redox chemistry with the CyMe-BTPhen polydentate N-donor extractant ligand. Chemical Communications (Cambridge, England). PMID 30349920 DOI: 10.1039/C8Cc06015K  0.699
2018 Lee K, Wei H, Blake AV, Donahue CM, Keith JM, Daly SR. Measurement of Diphosphine σ-Donor and π-Acceptor Properties in d Titanium Complexes Using Ligand K-Edge XAS and TDDFT. Inorganic Chemistry. PMID 30067355 DOI: 10.1021/Acs.Inorgchem.8B01511  0.5
2018 Blake AV, Wei H, Donahue CM, Lee K, Keith JM, Daly SR. Solid energy calibration standards for P K-edge XANES: electronic structure analysis of PPhBr. Journal of Synchrotron Radiation. 25: 529-536. PMID 29488933 DOI: 10.1107/S1600577518000528  0.421
2018 Blake AV, Wei H, Lee K, Donahue CM, Keith JM, Daly SR. Cover Feature: Solution and Solid-State Ligand K-Edge XAS Studies of PdCl2 Diphosphine Complexes with Phenyl and Cyclohexyl Substituents (Eur. J. Inorg. Chem. 20-21/2018) European Journal of Inorganic Chemistry. 2018: 2063-2063. DOI: 10.1002/Ejic.201800611  0.368
2018 Blake AV, Wei H, Lee K, Donahue CM, Keith JM, Daly SR. Solution and Solid-State Ligand K-Edge XAS Studies of PdCl2 Diphosphine Complexes with Phenyl and Cyclohexyl Substituents European Journal of Inorganic Chemistry. 2018: 2267-2276. DOI: 10.1002/Ejic.201800203  0.354
2017 Minasian SG, Batista ER, Booth CH, Clark DL, Keith JM, Kozimor SA, Lukens WW, Martin RL, Shuh DK, Stieber SCE, Tylisczcak T, Wen XD. Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2. Journal of the American Chemical Society. 139: 18052-18064. PMID 29182343 DOI: 10.1021/Jacs.7B10361  0.807
2016 Keith JM, Ye Y, Wei H, Buck MR. Mechanistic examination of aerobic Pt oxidation: insertion of molecular oxygen into Pt-H bonds through a radical chain mechanism. Dalton Transactions (Cambridge, England : 2003). PMID 27364984 DOI: 10.1039/C6Dt00419A  0.327
2016 Lee K, Wei H, Blake AV, Donahue CM, Kwon HY, Keith JM, Daly SR. Correction: Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure. Dalton Transactions (Cambridge, England : 2003). PMID 27332670 DOI: 10.1039/c6dt90109c  0.734
2016 Lee K, Wei H, Blake AV, Donahue CM, Keith JM, Daly SR. Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure. Dalton Transactions (Cambridge, England : 2003). PMID 27216135 DOI: 10.1039/C6Dt00200E  0.526
2015 Donahue CM, McCollom SP, Forrest CM, Blake AV, Bellott BJ, Keith JM, Daly SR. Impact of Coordination Geometry, Bite Angle, and Trans Influence on Metal-Ligand Covalency in Phenyl-Substituted Phosphine Complexes of Ni and Pd. Inorganic Chemistry. 54: 5646-59. PMID 25996554 DOI: 10.1021/Ic503125B  0.417
2015 Löble MW, Keith JM, Altman AB, Stieber SC, Batista ER, Boland KS, Conradson SD, Clark DL, Lezama Pacheco J, Kozimor SA, Martin RL, Minasian SG, Olson AC, Scott BL, Shuh DK, et al. Covalency in lanthanides. An X-ray absorption spectroscopy and density functional theory study of LnCl6(x-) (x = 3, 2). Journal of the American Chemical Society. 137: 2506-23. PMID 25689484 DOI: 10.1021/Ja510067V  0.795
2014 Olson AC, Keith JM, Batista ER, Boland KS, Daly SR, Kozimor SA, MacInnes MM, Martin RL, Scott BL. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions. Dalton Transactions (Cambridge, England : 2003). 43: 17283-95. PMID 25311904 DOI: 10.1039/C4Dt02302A  0.782
2014 Kuppuswamy S, Powers TM, Johnson BM, Brozek CK, Krogman JP, Bezpalko MW, Berben LA, Keith JM, Foxman BM, Thomas CM. One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes. Inorganic Chemistry. 53: 5429-37. PMID 24833117 DOI: 10.1021/Ic403039X  0.52
2014 Donahue CM, Pacheco JS, Keith JM, Daly SR. Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates. Dalton Transactions (Cambridge, England : 2003). 43: 9189-201. PMID 24811926 DOI: 10.1039/C4Dt00078A  0.484
2014 Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Kozimor SA, Martin RL, Shuh DK, Tyliszczak T. New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory Chemical Science. 5: 351-359. DOI: 10.1039/C3Sc52030G  0.787
2014 Kozimor SA, Olson AC, Daly SR, Batista ER, Bauer E, Boland KS, Gaunt A, Keith JM, Martin RL, Scott BL. Evaluation of orbital mixing in soft-donor dithiophosphinate extradants using sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory Plutonium Futures: the Science 2014. 48-50.  0.755
2013 Minasian SG, Keith JM, Batista ER, Boland KS, Kozimor SA, Martin RL, Shuh DK, Tyliszczak T, Vernon LJ. Carbon K-edge X-ray absorption spectroscopy and time-dependent density functional theory examination of metal-carbon bonding in metallocene dichlorides. Journal of the American Chemical Society. 135: 14731-40. PMID 24047199 DOI: 10.1021/Ja405844J  0.776
2013 Hayes PG, Xu Z, Beddie C, Keith JM, Hall MB, Tilley TD. The osmium-silicon triple bond: synthesis, characterization, and reactivity of an osmium silylyne complex. Journal of the American Chemical Society. 135: 11780-3. PMID 23906040 DOI: 10.1021/Ja406799Y  0.514
2013 Minasian SG, Keith JM, Batista ER, Boland KS, Bradley JA, Daly SR, Kozimor SA, Lukens WW, Martin RL, Nordlund D, Seidler GT, Shuh DK, Sokaras D, Tyliszczak T, Wagner GL, et al. Covalency in metal-oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory. Journal of the American Chemical Society. 135: 1864-71. PMID 23351138 DOI: 10.1021/Ja310223B  0.79
2012 Daly SR, Keith JM, Batista ER, Boland KS, Clark DL, Kozimor SA, Martin RL. Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of dithiophosphinate extractants: minor actinide selectivity and electronic structure correlations. Journal of the American Chemical Society. 134: 14408-22. PMID 22920323 DOI: 10.1021/Ja303999Q  0.772
2012 Keith JM, Teets TS, Nocera DG. O2 insertion into group 9 metal-hydride bonds: evidence for oxygen activation through the hydrogen-atom-abstraction mechanism. Inorganic Chemistry. 51: 9499-507. PMID 22880842 DOI: 10.1021/Ic301303N  0.41
2012 Daly SR, Keith JM, Batista ER, Boland KS, Kozimor SA, Martin RL, Scott BL. Probing Ni[S2PR2]2 electronic structure to generate insight relevant to minor actinide extraction chemistry. Inorganic Chemistry. 51: 7551-60. PMID 22746670 DOI: 10.1021/Ic3001587  0.767
2012 Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Conradson SD, Kozimor SA, Martin RL, Schwarz DE, Shuh DK, Wagner GL, Wilkerson MP, Wolfsberg LE, Yang P. Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory. Journal of the American Chemical Society. 134: 5586-97. PMID 22404133 DOI: 10.1021/Ja2105015  0.803
2012 Keith JM, Batista ER. Theoretical examination of the thermodynamic factors in the selective extraction of Am3+ from Eu3+ by dithiophosphinic acids. Inorganic Chemistry. 51: 13-5. PMID 22168432 DOI: 10.1021/Ic202061B  0.668
2012 Keith JM, Goddard WA. Chelating base effects in palladium-mediated activation of molecular oxygen Organometallics. 31: 545-552. DOI: 10.1021/Om200809U  0.439
2011 Travia NE, Xu Z, Keith JM, Ison EA, Fanwick PE, Hall MB, Abu-Omar MM. Observation of inductive effects that cause a change in the rate-determining step for the conversion of rhenium azides to imido complexes. Inorganic Chemistry. 50: 10505-14. PMID 21905647 DOI: 10.1021/Ic2017853  0.571
2011 Keith JM, Abu-Omar MM, Hall MB. Computational investigation of the concerted dismutation of chlorite ion by water-soluble iron porphyrins. Inorganic Chemistry. 50: 7928-30. PMID 21806042 DOI: 10.1021/Ic2009732  0.469
2011 Keith JM, Meyerstein D, Hall MB. Computational investigations into hydrogen-atom abstraction from rhodium hydride complexes by methyl radicals in aqueous solution European Journal of Inorganic Chemistry. 4901-4905. DOI: 10.1002/Ejic.201100825  0.493
2011 Keith JM, Batista ER, Martin RL, Wu R, Silks LP, Gordon JC. Catalyzed conversion of non-food biomass to fuels: Probing the mechanism of the initial C - C bond forming step Acs National Meeting Book of Abstracts.  0.707
2010 Keith JM, Hall MB. Potential hydrogen bottleneck in nickel-iron hydrogenase. Inorganic Chemistry. 49: 6378-80. PMID 20557131 DOI: 10.1021/Ic100522F  0.467
2010 Huang SH, Keith JM, Hall MB, Richmond MG. Ortho-metalation dynamics and ligand fluxionality in the conversion of Os3(CO)10(dppm) to HOs3(CO)8[μ- PhP(C6H4-μ2,ν1)CH 2PPh2]: Experimental and DFT evidence for the participation of agostic C-H and π-aryl intermediates at an intact triosmium cluster Organometallics. 29: 4041-4057. DOI: 10.1021/Om100475V  0.5
2010 Keith JM, Tomić ZD, Zarić SD, Hall MB. Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems Journal of Molecular Catalysis a: Chemical. 324: 15-23. DOI: 10.1016/J.Molcata.2010.02.027  0.541
2009 Keith JM, Goddard WA. Mechanism for activation of molecular oxygen by cis- and trans-(pyridine)2Pd(OAc)H: Pd(0) versus direct insertion. Journal of the American Chemical Society. 131: 1416-25. PMID 19133788 DOI: 10.1021/Ja8040459  0.42
2007 Keith JM, Goddard WA, Oxgaard J. Pd-mediated activation of molecular oxygen: Pd(0) versus direct insertion. Journal of the American Chemical Society. 129: 10361-9. PMID 17676735 DOI: 10.1021/Ja070462D  0.432
2006 Keith JM, Muller RP, Kemp RA, Goldberg KI, Goddard WA, Oxgaard J. Mechanism of direct molecular oxygen insertion in a palladium(II)-hydride bond. Inorganic Chemistry. 45: 9631-3. PMID 17112254 DOI: 10.1021/Ic061392Z  0.451
2005 Keith JM, Nielsen RJ, Oxgaard J, Goddard WA. Pd-mediated activation of molecular oxygen in a nonpolar medium. Journal of the American Chemical Society. 127: 13172-9. PMID 16173744 DOI: 10.1021/Ja043094B  0.67
2004 Nielsen RJ, Keith JM, Stoltz BM, Goddard WA. A computational model relating structure and reactivity in enantioselective oxidations of secondary alcohols by (-)-sparteine-Pd(II) complexes. Journal of the American Chemical Society. 126: 7967-74. PMID 15212546 DOI: 10.1021/Ja031911M  0.674
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