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Spectral and energy characteristics of dioxybenzenes

Authors :
L. E. Ostrovskaya
A. S. Khatenko
M. A. Ksenofontov
E. Yu. Bobkova
V. S. Vasil’eva
D. S. Umreiko
Source :
Journal of Applied Spectroscopy. 71:788-793
Publication Year :
2004
Publisher :
Springer Science and Business Media LLC, 2004.

Abstract

In the approximation for the valence force field with quantum-chemical estimation of the intensities of the absorption bands of IR spectra, calculation of the main spectral-structural and energy characteristics of dioxy-benzenes is performed. This made it possible to suggest energetically more favorable conformations and assign the frequencies of normal vibrations to individual types of symmetry.

Details

ISSN :
15738647 and 00219037
Volume :
71
Database :
OpenAIRE
Journal :
Journal of Applied Spectroscopy
Accession number :
edsair.doi...........8bf4b6af44be4fd305605e7a0b1d504d