W. Robert Carper, Professor

Biophysical and Physical Chemistry
Ph.D., University of Mississippi, 1963

Tel:  316.978.3120
Fax: 316.978.3431
Email: Bob.Carper@wichita.edu

Fig. 1:  Ionic Liquid

Fig. 2:  Endo-metacyclophane-porphyrin model ion channel

Research Interests

• Ionic Liquids Synthesis, NMR 2D (H,H-NOESY), NMR ¹³C relaxation studies, Molecular dynamics, Raman spectroscopy and molecular modeling.
• Model ion channels (in collaboration with Prof. Burns) - Semi-empirical and ab initio-based molecular dynamics studies of chloride ion channels.

Recent Publications

• Zhizhong Meng and W. Robert Carper, "Effects of Hydration on the Molecular Structure of Atrazine Dimers:  A MOPAC (PM3) Study", Journal of Molecular Liquids 96, 397-407(2002).
• W. Robert Carper, Zhizhong Meng and Nicholas M. Palko, "Direct Determination of ¹¹⁹Sn, ¹⁹⁵Pt, ¹⁹⁹Hg and ²⁰⁷Pb NMR Correlation Times From Spin-Lattice and Spin-Spin Relaxation Times", Journal of Molecular Liquids 98, 7-14(2002).
• Zhizhong Meng, Andreas D lle and W. Robert Carper, "Gas Phase Model of an Ionic Liquids: Semi-Empirical and Ab Initio Bonding and Molecular Structure", Journal of Molecular Structure (THEOCHEM) 585, 119-128(2002).
• W. Robert Carper, Zhizhong Meng and Andreas D lle, "Quantum Mechanical Methods for Structure Elucidation", in Ionic Liquids in Synthesis, P. Wasserscheid and T. Welton eds., John Wiley, New York, 2002, 152-156.
• Zhizhong Meng and W. Robert Carper, "GIAO NMR Calculations for Atrazine and Atrazine Dimers:  Comparison of Theoretical and Experimental  ¹H and ¹³C Chemical Shifts", Journal of Molecular Structure (THEOCHEM), 588, 45-53 (2002).
• Andreas D lle and W. Robert Carper, "Molecular Reorientational Dynamics", in Ionic Liquids in Synthesis, P. Wasserscheid and T. Welton eds., John Wiley, New York, 2002, 168-173.
• W. R. Carper, Z. Meng, P. Wasserscheid and A. D lle, "NMR Relaxation Studies and Molecular Modeling of 1-butyl-3-methyl Imidazolium PF6 [BMIM][PF6]", XIII International Symposium on Molten Salts, P. C. Trulove, H. C. DeLong, and R. A. Mantz, eds., Electrochemical Society Proceedings, 2002-19, 973-982 (2003).
• J rgen H. Antony, Dirk Mertens, Andreas D lle, Peter Wasserscheid and William Robert Carper, "Molecular Reorientational Dynamics of the Neat Ionic Liquid 1-Butyl-3-methylimidazolium Hexafluorophosphate", ChemPhysChem, 4, 588-594 (2003).
• W. Robert Carper, Norman E. Heimer, Rico E. Del Sesto, Zhizhong Meng and John S. Wilkes, "C2-4MIM Imidazolium Tetrafluoroborate Ionic Liquids: Analysis of Vibrational Spectra", Journal of Physical Chemistry B (in press). 
• Norman Heimer, Rico E. Del Sesto and W. Robert Carper, "Evidence for Spin Diffusion in a H,H-NOESY Study of Imidazolium Tetrafluoroborate Ionic Liquids", Magnetic Resonance in Chemistry, 42, 71-75 (2004).
• Erach R. Talaty, Sidhartha Raja, Vincent J. Storhaug, Andreas Dolle and W. Robert Carper, "Raman and Infrared Spectra and Ab Initio Calculations of C2-4MIM Imidazolium Hexafluorophosphate Ionic Liquids", Journal of Physical Chemistry B (in press).
• W. Robert Carper, Phillip G. Wahlbeck, Jurgen H. Antony, Dirk Mertens, Andreas Dolle and Peter Wasserscheid, "A Bloembergen-Purcell-Pound ¹³C NMR Relaxation Study of the Ionic Liquid, 1-Butyl-3-methylimidazolium Hexafluorophosphate", Analytical and Bioanalytical Chemistry 378, 1548-1554 (2004).
• Vincent J. Storhaug and W. Robert Carper, "Ab Initio Molecular Structure and Vibrational Spectra of Ionic Liquids", Recent Research Developments in Physical Chemistry, (in press).
• W. Robert Carper, Phillip G. Wahlbeck and Andreas D lle, "¹³C NMR Relaxation Rates:  Separation of Dipolar and Chemical  Shift Anisotropy Effects", Journal of Physical Chemistry A, 108, 6096-6099 (2004).
• Jurgen H. Antony, Dirk Mertens, Tobias Breitenstein, Andreas D lle, Peter Wasserscheid and W. Robert Carper, "Molecular Structure, reorientational dynamics, and intermolecular interactions in the neat ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate",. Pure and Applied Chemistry, 76, 255-261 (2004).

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