Ess, Daniel H. - Brigham Young University - Department of Chemistry and Biochemistry

个人简介

BS, Brigham Young University (2000) Ph.D., University of California, Los Angeles (2007) Postdoctoral Scholar, California Institute of Technology, Materials and Process Simulation Center (2007-2009) Postdoctoral Scholar, The Scripps Research Institute, Scripps Florida (2007-2009) Postdoctoral Scholar, University of North Carolina at Chapel Hill, Energy Frontier Research Center: Solar Fuels and Next Generation Photovoltaics (2009-2010)

研究领域

Theory and computational chemistry C-H Bond and small molecule activation Noncovalent catalysis and organocatalysis Asymmetric and stereoselective Reactions Research supported by ACS Petroleum Research Foundation, Department of Energy, Utah State, Chevron-Phillips Chemical Co., and National Institutes of Health

近期论文

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Anderson, P.; Petit, A.; Ho, J.; Mitoraj, M. P.; Coote, M. L.; Danovich, D.; Shaik, S.; Braïda, B.; Ess, D. H.* “Protonated Alcohols Are Examples of Complete Charge-Shift Bonds” J. Org. Chem. 2014, 79, 9998-10001. Konnick, M. M.; Hashiguchi, B. G.; Devarajan, D.; Boaz, N.; Gunnoe, T. B.; Groves, J. T.; Gunsalus, N.; Ess, D. H.*; Periana, R. A. "Selective CH Oxy-Functionalization of Methane, Ethane, and Propane by a Perfluoroarene Iodine(III) Complex" Angew. Chem. Int. Ed. 2014, 53, 10490-10494. McCarthy, S. M.; Lin, Y-C.; Devarajan, D.; Chang, J. W.; Yennawar, H.; Rioux, R. M.; Ess, D. H.*; Radosevich, A. T. “Intermolecular N-H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ3-Phosphorus Compound via an Entropy-Controlled Electrophilic Mechanism” J. Am. Chem. Soc. 2014, 136, 4640-4650. Hashiguchi, B. G.; Konnick, M. M.; Bischof, S. M.; Gustafson, S. J.; Devarajan, D.; Gunsalus, N.; Ess, D. H.*; Periana, R. A “Main-Group Compounds Selectively Oxidize Mixtures of Methane, Ethane, and Propane to Alcohol Esters” Science 2014, March 14. Jat, J. L.; Paudyal, M. P.; Gao, H.; Xu, Q-L.; Yousufuddin, M.; Devarajan, D.; Ess, D. H.*; Kürti, L.; Falck, J. R. “Direct Stereospecific Synthesis of Unprotected N-H and N-Me Aziridines from Olefins” Science 2014, 343, 61-65. Ghebreghiorgis, T.; Kirk, B. H.; Aponick, A.; Ess, D. H.* “Multiple Mechanisms in Pd(II)-catalyzed SN2' Reactions of Allylic Alcohols” J. Org. Chem. 2013, 78, 7664-7673. Devarajan, D.; Doubleday, C. E.; Ess, D. H.* “Theory of Divalent Main Group H2 Activation: Electronics and Quasiclassical Trajectories” Inorg. Chem. 2013, 52, 8820-8833. Hintermair, U.; Sheehan, S. W.; Parent, A. R.; Ess, D. H.*; Richens, D. T.; Vaccaro, P. H.; Brudvig, G. W.; Crabtree, R. H. “Precursor Transformation during Molecular Oxidation Catalysis with Organometallic Iridium Complexes” J. Am. Chem. Soc. 2013, 135, 10837-10851. Kalman, S. E.; Petit, A.; Gunnoe, T. B.; Ess, D. H.*; Cundari, T. R.; Sabat, M. “Facile and Regioselective C–H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway” Organometallics, 2013, 32, 1797-1806. Cook, T. C.; Andrus, M. B.; Ess, D. H.* “Quantum Mechanical Transition-State Analysis Reveals the Precise Origin of Stereoselectivity in Chiral Quaternary Cinchonidinium Phase-Transfer Catalyzed Enolate Allylation” Org. Lett. 2012, 14, 5836-5839. hebreghiorgis, T.; Biannic, B.; Kirk, B.; Ess, D. H.*; Aponick, A. “The Importance of Hydrogen Bonding on Stereoselectivity and Catalyst Turnover in the Au-Catalyzed Cyclization of Monoallylic diols” J. Am. Chem. Soc. 2012, 134, 16307-16318. Peng, D.; Hu, X.; Devarajan, D.; Ess, D. H.*; Johnson, E. R.; Yang, W. “Variational Fractional-Spin Density-Functional Theory for Diradicals” J. Chem. Phys. 2012, 137, 114112-114119. Devarajan, D.; Gunnoe, T. B.; Ess, D. H.* “Theory of Late-Transition-Metal Alkyl and Heteroatom Bonding: Analysis of Pt, Ru, Ir, and Rh Complexes” Inorg. Chem. 2012, 51, 6710-6718. Devarajan, D.; Ess, D. H.* “Metal-Mediated Dihydrogen Activation. What Determines the Transition-State Geometry?” Inorg. Chem. 2012, 51, 6367-6375. Ess, D. H.*; Cook, T. C. “Unrestricted Prescriptions for Open-Shell Singlet Diradicals: Using Economical Ab Initio and Density Functional Theory to Calculate Singlet-Triplet Gaps and Bond Dissociation Curves” J. Phys. Chem. A 2012, 116, 4922-4929.