A theory of the broadening of the infrared absorption spectra of hydrogen-bonded species. I-Reference-Cited by-同舟云学术

A theory of the broadening of the infrared absorption spectra of hydrogen-bonded species. I

Published:1974-03-19 Issue:1609 Volume:337 Page:167-197
ISSN:0080-4630
Container-title:Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences
language:en
Short-container-title:Proc. R. Soc. Lond. A

Author:

Abstract

A theory of the intramolecular contributions to the broadening of the v (XH) absorption bands of hydrogen-bonded species is proposed, which is able to describe both vibrational predissociation and the formation of sum and difference bands. A formal method is developed for finding the wavefunctions and complex energy eigenvalues of quasi-stationary excited vibrational states of a linear triatomic system with realistic interactions. The theory is applied to the Me 2 O.HCl system. It is found that predissociation broadening is negligible. The calculation of combination band intensities, and of the spread in energy of terms within such bands, will be reported in a subsequent paper.

Publisher

The Royal Society

Subject

Pharmacology (medical)

Link

https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1974.0044

Reference39 articles.

1. A rnold J . & Millen D. J . 1965 a

2. A rnold J . & Millen D. J . 19656 J . chem. J .chem. Soc. p. 510.

3. Badger R . M. & B auer S. H . 1937 J . chem. P hys. 5 839.

4. Optics;Belozerskaya L. P .;Spectrosc. Suppl.,1966

5. B ertie J . E . & F alk M. V. 1972 Abstracts of papers delivered at Ottawa conference on hydrogen bonding p. 10.

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