dc.creator Tam, C. N. en_US dc.creator Wang, B. en_US dc.creator Keiderling, T. A. en_US dc.date.accessioned 2006-06-15T18:53:11Z dc.date.available 2006-06-15T18:53:11Z dc.date.issued 1993 en_US dc.identifier 1993-RH-5 en_US dc.identifier.uri http://hdl.handle.net/1811/18577 dc.description $^{1}$ C. N. Tam, B. Wang, T. A. Keiderling and W. G. Golden, Chem. Phys. Lett. 198, 123 (1992). $^{2}$ M. Plich, M. Pawlikowski and O. S. Mortensen, Chem. Phys. Lett. (in press). en_US dc.description Author Institution: Department of Chemistry, University of Illinois at Chicago en_US dc.description.abstract The Magnetic vibrational circular dichorism spectra (MVCD) of C$60$ fullerene in solution will be presented for $t_{1u}$-symmetry fundamental vibrations at 1430 and $1183 cm^{-1}$. Two MVCD A-terms of opposite sign $(A_{1}/D_{0} = -3.8$ and $1.1 \times 10^{-4}$, respectively) which are similar in magnitude to that of benzene are $observed.^{1}$ According to the single excited-state vibronic coupling model and using the two lowest-energy $^{1}T_{1u}$ excited electronic states, the sign of one of the MVCD bands is correctly predicted while the magnitudes of both bands are underestimated. Recent theoretical predictions for the electronic MCD of $C_{60}$ based on extended Cl calculations at the CNDO level predict oppositely signed MCD A-terms for the two low energy $^{1}A_{g}$ to $^{1}T_{1u}$ electronic $transitions.^{2}$ If correct, these variations could explain the observed C$60$ MVCD sign patterns. en_US dc.format.extent 83764 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title OBSERVATION OF MAGNETIC VIBRATIONAL CIRCULAR DICHROISM OF $C_{60}$ IN THE 1430 AND $1183 cm^{-1} t_{1u}$ MODES en_US dc.type article en_US
﻿