Charles Edwin Webster

Charles Edwin Webster


  • Faculty


  • Biochemistry
  • Computational
  • Inorganic
  • Materials/Polymer
  • Organometallic
  • Physical

Research Summary

Computational and synthetic studies of bioinorganic, inorganic, and organometallic systems


  • Professor



  • Hand Lab 1120

B.S. University of West Florida, 1995
Ph.D. University of Florida, 1999

Our 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.

Select Publications

  1. S. Das, R. R. Rodrigues, R W. Lamb, F. Qu, E. Reinheimer, C. M. Boudreaux, C. E. Webster, J. H. Delcamp, E. T. Papish "Highly Active Ruthenium CNC Pincer Photocatalysts for Visible-Light-Driven Carbon Dioxide Reduction" Inorg Chem, 2019, 58, 8012-8020. (doi)
  2. P. Wang, G. Liang, C. L. Boyd, C. E. Webster, X. Zhao "Catalytic H2 Evolution by a Mononuclear Cobalt Complex with a Macrocyclic Pentadentate Ligand" Eur J Inorg Chem, 2019, 2134-2139. (doi)
  3. Y. O. Wong, L. A. Freeman, A. D. Agakidou, D. A. Dickie, C. E. Webster, R. J. Gilliard, Jr. "Two Carbenes versus One in Magnesium Chemistry: Synthesis of Terminal Dihalide, Dialkyl, and Grignard Reagents" Organometallics, 2019, 38, 688-696. (doi)
  4. 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, 140, 9819-9822. (doi)
  5. 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)
  6. 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)
  7. 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)
  8. 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)
  9. 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 H2 Production" ACS Catal, 2018, 8, 4838-4847. (doi)
  10. 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)
  11. G. Liang, C. E. Webster. "The Missing Agostomer in the Fluxionality of Cyclohexenylmanganese Tricarbonyl" J Organometallic Chem, 2018, 864, 128-135. (doi)
  12. 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)
  13. 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)
  14. 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)
  15. G. Liang, N. J. DeYonker, X. Zhao, C. E. Webster. "Prediction of the Reduction Potential in Transition-Metal Containing Complexes: How Expensive? For What Accuracy?" J Comput Chem, 2017, 38, 2430-2438. (doi)
  16. J. D. Cope, N. P. Liyanage, P. J. Kelley, J. A. Denny, E. J. Valente, C. E. Webster, J. H. Delcamp, T. K. Hollis. "Electrocatalytic Reduction of CO2 with CCC-NHC Pincer Nickel Complexes" Chem Commun, 2017, 53, 9442-9445. (doi)
  17. J. D. Cope, J. A. Denny, R. W. Lamb, L. E. McNamara, N. I. Hammer, C. E. Webster, T. K. Hollis. "Synthesis, characterization, photophysics, and a ligand rearrangement of CCC-NHC pincer nickel complexes: Colors, polymorphs, emission, and Raman spectra" J Organometallic Chem, 2017, 845, 258-265. (doi)
  18. S. Siek, D. B. Burks, D. L. Gerlach, G. Liang, J. M. Tesh, C. R. Thompson, F. Qu, J. E. Shankwitz, R. M. Vasquez, N. Chambers, G, J. Szulczewski, D. B. Grotjahn, C. E. Webster, E. T. Papish. "Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal" Organometallics, 2017, 36, 1091-1106. (doi)