ISSN:
0377-0486
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The Raman and infrared spectra of o-, m- and p-fluoronitrobenzenes, o-, m- and p-chloronitrobenzenes, m- and p-bromonitrobenzenes and o-, m- and p-iodonitrobenzenes were measured. Far-infrared and Raman polarization measurements were made wherever possible. A normal coordinate analysis was carried out for both the in-plane and out-of-plane vibrations of these molecules using an 82-parameter modified valence force field. An overlay least-squares technique was employed to refine the force constants using 378 frequencies of the molecules to obtain a converged set of meaningful force constants. The reliability of the force constants so obtained was tested by making a zero-order calculation for o-bromonitrobenzene. The potential energy distributions and eigenvectors calculated in the process were used to make unambiguous vibrational assignments of all the fundamentals.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jrs.1250200809
