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Study of the electronic structure of some diatomic molecules with lone pair electrons by means of the absolute intensity of infrared vibrational bands—I:Hydrogen halides in gas phase

Authors
Journal
Spectrochimica Acta Part A Molecular Spectroscopy
0584-8539
Publisher
Elsevier
Publication Date
Volume
28
Issue
4
Identifiers
DOI: 10.1016/0584-8539(72)80046-1

Abstract

Abstract A calculation model is illustrated, which makes use of the experimental values of the absolute intensities of vibrational bands. The purpose of the calculation is that of attempting, through the solution of equations containing the molecular dipole moment (μ tot) and its first (dμ tot/d R) and the second (d 2μ tot/d R 2) derivatives, an evaluation of the relative influence that both the bond moment and the lone pair moment exert on the total molecular dipole moment.

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