Croatica Chemica Acta, Vol. 57 No. 5, 1984.
Review article
Infrared Band Intensities, Electric Charge Distribution in Molecules and Polar Properties of Valence Bonds
Boris Galabov
; Department of Chemistry, University of Sofia, 1126 Sofia, Bulgaria
Bogdana Nikolova
; Institute of Organic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
William J. Orville-Thomas
; Department of Chemistry and Applied Chemistry, University of Salford, Salford MS 4WT, U. K.
Abstract
The possibility of deriving information on the charge distribution
in molecules via transformation of vibrational intensities
in the infrared spectra is discussed. Dynamic polar properties of
the valence bonds can be characterized by empirical parameters,
termed bond polar parameters, evaluated from experimental IR
intensities. The theoretical prerequisites of the bond polar parameter
method and some applications are discussed.
Keywords
Hrčak ID:
194078
URI
Publication date:
14.1.1985.
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