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ASIAN JOURNAL OF PHYSICS

An International Peer Reviewed Research Journal
Frequency : Monthly,
ISSN : 0971 – 3093
Editor-In-Chief (Hon.) :
Dr. V.K. Rastogi
e-mail:[email protected]
[email protected]

AJP ISSN : 0971 – 3093
Vol  4, No. 4, October-December, 1995

Asian
Journal of Physics

Vol  4, No. 4, October-December, 1995

Vol. 4, No 4 (1995) 211 -216

Normal Coordinate Analysis, of complexes of the type XReO3 (with X = F, Cl, Br and CH3)

R PIKL AND W KIEFER

Institut fur Physikalische Chemie der Universitat Wurzburg
Marcasstr. 9-11, D-97070 Wurzburg, Federal Republic of Germany

A normal coordinate analysis of several XReO3-complexes with X = F, Cl, Br and CH3 is performed and discussed. A comparison of the methyl group as point mass with the halo­gens has been examined and discussed. The calculations have also been expanded to include the whole methyl group.

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Normal Coordinate Analysis, of complexes of the type XReO3…pdfDownload

Vol. 4, No 4 (1995) 217 -232

General Valence Force Field and Normal Coordinate Analysis of 1,3,5-Trisubstituted Benzenes
T POLZER AND W KIEFER*
Institut fur Physikalische Chemie der Universitat Wurzburg
Marcasstr. 9-11, D-97070 Wurzburg, Federal Republic of Germany.

The vibrational spectra of mesitylene and a complete ‘as¬signment of the observed normal modes are presented and discussed together with literature data. A general valence force field suitable for different 1,3,5-trisubstituted benzenes was investigated and normal coordinate calculations for C6H5R (R = Me, Cl, Br) were performed. Good agreement between observed and calculated frequencies has been achieved. The force field together with force constants and potential energy distribution is presented. The complete set of the representa-tions of the normal modes based on the calculated displace¬ment vectors of the atoms is given.
Refs

  1. See for example, G. Varsanyi, Assignments for vibrational spectra of seven hundred benzene derivatives, Vols. 1/2, Akademiai Kiado and Adam Hilger, Budapest and London 1974.
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  24. Polzer T & Kiefer W, J Organomet.Chem , 472 (1994) 303
General Valence Force Field and Normal CoordinateDownload

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