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Proceedings Paper

Spectroscopic exhibitions of large-amplitude motions in halogen-containing coordination systems
Author(s): Shavkat Sh. Nabiev; I. A. Perevalova; A. N. Pinzul; L. P. Sukhanov
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Paper Abstract

The spectroscopic exhibitions of the structural non-rigidity effects in the series of the complex molecular systems with a few large amplitude motions are investigated with the application of the combination of original experimental and theoretical approaches which were tested by us earlier for the study of the floppy molecules. The characteristic times of intramolecular rearrangements are estimated for the fluorocontaining compounds having the most structural non- rigidity among the R2NPX2 (R equals Me, Et; X equals F, Cl, Br) systems. Using ab initio calculations of the potential energy surfaces, the tendency of the MeOPX2 (X equals F, Cl) molecules is revealed with respect to two kinds of the large amplitude motions. They are internal rotations of the CH3 group around the C-O bond and rotations of the CH3 and PX2 groups relative to the P-O bond. On the basis of the nonempirical dynamic calculations, the features of the vibrational spectrum of the MeSiF3 molecule are studied for the region of the torsion vibrations of the CH3 and SiF3 groups around the C- Si bond.

Paper Details

Date Published: 25 January 2000
PDF: 5 pages
Proc. SPIE 4063, 13th Symposium and School on High-Resolution Molecular Spectroscopy, (25 January 2000); doi: 10.1117/12.375375
Show Author Affiliations
Shavkat Sh. Nabiev, Kurchatov Institute (Russia)
I. A. Perevalova, Kurchatov Institute (Russia)
A. N. Pinzul, Kurchatov Institute (Russia)
L. P. Sukhanov, Kurchatov Institute (Russia)

Published in SPIE Proceedings Vol. 4063:
13th Symposium and School on High-Resolution Molecular Spectroscopy
Leonid N. Sinitsa, Editor(s)

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