Dr. Charles Webster

Dr. Charles Webster

Adjunct Professor


Dr. Webster is Professor and Associate Department Chair in the Department of Chemistry at Mississippi State University.  His research involves several areas of theoretical and computational chemistry, including areas of biological catalysis, bond activation, and structure and bonding. Model analogues (as well as complete “smaller” systems) may be studied with either density functional or ab initio methods with a high degree of success.

Selected Publications

G. K. Kosgei, D. Breen, R. W. Lamb, M. Y. Livshits, L. A. Crandall, C. J. Ziegler, C. E. Webster, J. J. Rack. “Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes” J Am Chem Soc, 2018, ASAP. (doi)

P. Wang, G. Liang, M. R. Reddy, M. Long, K. Driskill, C. Lyons, B. Donnadieu, J. C. Bollinger, C. E. Webster, X. Zhao. “Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands” J Am Chem Soc, 2018, 140, 29, 9219-9229. (doi)

J. A. Denny, R. W. Lamb, S. W. Reilly, B. Donnadieu, C. E. Webster, T. K. Hollis. “Investigation of Metallation/Transmetallation Reactions to Synthesize a Series of CCC-NHC Co Pincer Complexes and Their X-ray Structures” Polyhedron, 2018, 151, 568-574. (doi)

H. H. C. Lakmal, J. X. Xu, X. Xu, B. Ahmed, C. Fong, D. J. Szalda, K. Ramig, A. Sygula, C. E. Webster, D. Zhang, X. Cui. “Synthesis of C-unsubstituted 1,2-Diazetidines and their Ring-opening Reactions via Selective N-N Bond Cleavage” J Org Chem, 2018, ASAP. (doi)

G. Liang, T. K. Hollis, C. E. Webster. “Computational Analysis of the Intramolecular Oxidative Amination of an Alkene Catalyzed by the Extreme π-loading N-Heterocyclic Carbene Pincer Tantalum(V) Bis(imido) Complex” Organometallics, 2018, 37, 1671-1681. (doi)

A. Huckaba, H. Shirley, R. W. Lamb, S. Guertin, S. Autry, H. Cheema, K. Talukdar, T. Jones, J. Jurss, A. Dass, N. I. Hammer, R. Schmehl, C. E. Webster, J. H. Delcamp. “A Mononuclear Tungsten Photocatalyst for H2Production” ACS Catal, 2018, 8, 4838-4847. (doi)

Inside Cover Art: D. B. Burks, S. Davis, R. W. Lamb, X. Liu, R. R. Rodrigues, N. P. Liyanage, Y. Sun, C. E. Webster, J. H. Delcamp, E. T. Papish. “Nickel(II) pincer complexes demonstrate that the remote substituent controls catalytic carbon dioxide reduction” Chem Commun, 2018, 54, 3819-3822. (doi)

G. Liang, C. E. Webster. “The Missing Agostomer in the Fluxionality of Cyclohexenylmanganese Tricarbonyl” J Organometallic Chem, 2018, 864, 128-135. (doi)

C. J. Saint-Louis, R. N. Shavnore, C. D. C. McClinton, J. A. Wilson, L. L. Magill, B. M. Brown, R. W. Lamb, C. E. Webster, A. K. Schrock, M. T. Huggins. “Synthesis, computational, and spectroscopic analysis of tunable highly fluorescent BN-1,2-azaborine derivatives containing the N-BOH moiety” Org Biomol Chem, 2017, 15, 10172-10183. (doi)

G. Liang, C. E. Webster. “Phosphoramidate Hydrolysis Catalyzed by Human Histidine Triad Nucleotide Binding Protein 1 (hHint1): A Cluster-model DFT Computational Study” Org Biomol Chem, 2017, 15, 8661-8668. (doi)

T. R. Helgert, C. E. Webster, T. K. Hollis, H. U. Valle, P. Hillesheim, A. G. Oliver. “Free Methylidyne? CCC-NHC Tantalum Bis(imido) Reactivity: Protonation, Rearrangement to a Mixed Unsymmetrical CCC-N-Heterocyclic Carbene/N-Heterocyclic Dicarbene (CCC-NHC-NHDC) Pincer Tantalum Bis(imido) Complex” Inorg Chim Acta, 2017, 469, 164-172. (doi)