Schwingungsberechnungen der Species Ti2Cl10 2− , Ti2Cl9 − und TiCl5 − / Molecular Vibration Analysis of Ti2Cl10 2− , Ti2Cl9 − and TiCl5 −

Author:

Demiray A. F.1,Brockner W.1,Cyvin B. N.2,Cyvin S. J.2

Affiliation:

1. Anorganisch-Chemisches Institut, Technische Universität Clausthal, Clausthal-Zellerfeld

2. Institutt for teoretisk kjemi, Norges tekniske høgskole, Universitetet i Trondheim, Norwegen

Abstract

Abstract Normal coordinate analyses of the chlorotitanate ions Ti2Cl10 2−Ti2Cl9 - and TiCl5 have been carried out following Wilson's FG matrix method. The final force constants are given in terms of symmetry coordinates, which are thoroughly specified for a Ti2Cl9 molecular model. Assignments of the vibrational frequencies of the title compounds are proposed, and the corresponding potential energy distributions are given. The final force fields were used to calculate the mean amplitudes of vibration, of which those of TiCl5 and selected values of Ti2Cl10 2− andTi2Cl9 are reported.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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