Single crystal Raman spectra of 1,2,4,5-tetrabromobenzene: Calculational and experimental assignment of the internal modes

Authors

K.M. White, University of Nebraska - Lincoln
Craig J. Eckhardt, University of Nebraska - LincolnFollow

Date of this Version

July 1998

Comments

Published by American Institute of Physics. J. Chem. Physics VOLUME 109, NUMBER 1, 1 JULY 1998. ©1998 American Institute of Physics. Permission to use. http://jcp.aip.org/.

Abstract

A detailed study of the fundamental internal modes of the 1,2,4,5-tetrabromobenzene crystal has provided assignments of Raman-active modes consistent with polarized single-crystal measurements. A normal-mode calculation based on a valence force field derived from brominated and chlorinated benzenes is found to be in excellent agreement with the assignments. Additional bands arising from anharmonic interactions of the fundamentals are also assigned.