B.Sc.(Hons), B. Math., 1985, University of Newcastle; Ph.D., 1989, Australian National University; Postdoctoral Research Fellow, IBM, 1989; Postdoctoral Associate, Yale University (1990-91)Contact Information
Personal Web Page: http://staff.science.nus.edu.sg/~chmwmw/index.htm
Computational quantum chemistry, using ab initio molecular orbital and density functional theory, is being employed to determine molecular structures, spectroscopic characteristics, energy levels of molecules and potential energy surfaces, and to help understand how molecules react with one another. Major applications include catalysis, reactive intermediates, intermolecular interactions, gas-phase ion chemistry, free radical reactions, organic reaction mechanisms and sulfur chemistry. Another major research interest is the development of efficient and accurate methods to study structures and properties of molecules in solution. Recent research activity has focused on modeling of molecular sensors, hydrogen storage materials, transition metal complexes, and compounds of medicinal and biological importance.
(1) "Synthesis of a Chiral Quaternary Carbon Center Bearing a Fluorine Atom: Enantioselective and Diastereoselective Guanidine-Catalyzed Addition of Fluorocarbon Nucleophiles", Z. Jiang, Y. Pan, Y. Zhao, T. Ma, R. Lee, Y. Yang, K.-W. Huang, M.W. Wong and C.-H. Tan, Angew. Chem. Int. Ed. 2009, 48, 1.
(2) "Complex formation of the Vulcanization Accelerator Tetramethyldiuram Disulfide (TMTD) and Related Molecules with Various Zinc Compounds Including Zinc Oxide Clusters (Zn4O4)" R. Steudel, Y. Steudel and M.W. Wong, Chem. Eur. J. 2008, 14, 919.
(3) "Dark-Red O8 Molecules in Solid Oxygen: Rhomboid Clusters, Not S8-Like Rings", R. Steudel and M.W. Wong, Angew. Chem. Int. Ed. 2007, 46, 1768.
(4) "Mechanism of Metal Halide-Promoted Mukaiyama Aldol Reactions", C.T. Wong and M.W. Wong, J. Org. Chem. 2007, 72, 1425.
(5) "Reaction of the Radical Pair NO2 and CO3- on 2-[6-(4'-Amino)phenoxy-3H-xanthen-3-on- 9-yl]benzoic Acid (APF)", A.M. Mak, M. Whiteman and M.W. Wong, J. Phys. Chem. A, 2007, 111, 8202.
(6) "Structures and Vibrational Spectra of the Sulfur-Rich Oxides SnO (n = 4-9). The Importance of p*-p* Interaction", M.W. Wong, Y. Steudel and R. Steudel, Chem. Eur. J. 2007, 13, 502.
(7) "Saturated Hydrocarbon-Benzene Complexes: A Theoretical Study of Cooperative CH/p Interaction", Ran J. and M.W. Wong, J. Phys. Chem. A 2006, 110, 9702.
(8) "Structures of the Trisulfur Oxides S3O and S3+: Branched Rings, not Open Chains", M.W. Wong and R. Steudel, Chem. Commun. 2005, 3712.
(9) "On the Roles of C-H...O=S and p-stacking Interactions in 2-Bromoacrolein Complex with N-tosyl-(S)-tryptophan Derived Oxazaborolidinone Catalyst", M.W. Wong, J. Org. Chem. 2005, 70, 5487.
(10) "Fluoride Ion Receptors Based on Dipyrrolyl Derivatives Bearing Electron-Withdrawing Groups: Synthesis, Optical and Electrochemical Sensing and Computational studies", T. Ghosh, B.G. Maiya, and M.W. Wong, J. Phys. Chem. A 2004, 108, 11249.
(11) "Quantum-Chemical Calculations of Sulfur-Rich Compounds", M.W. Wong, Top. Curr. Chem. 2003, 231, 1.
(12) "Atomic Properties of N2O4 Based on Its Experimental Charge Density", M. Messerschmidt, A. Wagner, M.W. Wong, and P. Luger, J. Am. Chem. Soc. 2002, 124, 732.
(13) "Prediction of a Metastable Helium Compound: HHeF", M.W. Wong, J. Am. Chem. Soc. 2000, 122, 6289.
(1) "Solvent Effects. 1. The Mediation of Electrostatic Effects by Solvents", M.W. Wong, M.J. Frisch and K.B. Wiberg, J. Am. Chem. Soc. 1991, 113, 4776. [830 citations]
(2) Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies", J.A. Pople, A.P. Scott, M.W. Wong and L. Radom, Isr. J. Chem. 1993,113, 345. [702 citations]
(3) "Vibrational Frequency Prediction Using Density Functional Theory", M.W. Wong, Chem. Phys. Lett., 1996,256, 391. [667 citations]