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Title: ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH

Abstract

Empirical study of cubic and quartic vibrational force constants for diatomic molecules shows them to be approximately exponential functions of internuclear distance. A family of curves is obtained, determined by the location of the bonded atoms in rows of the periodic table. Displacements between successive curves correspond closely to those in Badger's rule for quadratic force constants (for which the parameters are redetermined to accord with all data now available). Constants for excited electronic and ionic states appear on practically the same curves as those for the ground states. Predictions based on the diatomic correlations agree with the available cubic constants for bond stretching in polyatomic molecules, regardless of the type of bonding involved. Implications of these regularities are discussed. (auth)

Authors:
;
Publication Date:
Research Org.:
Univ. of California, Berkeley
Sponsoring Org.:
USDOE
OSTI Identifier:
4842937
Report Number(s):
UCRL-9537
Journal ID: JCPSA; 0021-9606
NSA Number:
NSA-15-029179
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics (U.S.); Journal Volume: Vol: 35; Other Information: UCRL-9537. Orig. Receipt Date: 31-DEC-61
Country of Publication:
United States
Language:
English
Subject:
CHEMISTRY; ATOMS; BADGER RULE; BINDING ENERGY; BONDING; CONFIGURATION; EXCITATION; IONS; MOLECULES

Citation Formats

Herschbach, D.R., and Laurie, V.W.. ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH. United States: N. p., 1961. Web. doi:10.1063/1.1731952.
Herschbach, D.R., & Laurie, V.W.. ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH. United States. doi:10.1063/1.1731952.
Herschbach, D.R., and Laurie, V.W.. Tue . "ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH". United States. doi:10.1063/1.1731952. https://www.osti.gov/servlets/purl/4842937.
@article{osti_4842937,
title = {ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH},
author = {Herschbach, D.R. and Laurie, V.W.},
abstractNote = {Empirical study of cubic and quartic vibrational force constants for diatomic molecules shows them to be approximately exponential functions of internuclear distance. A family of curves is obtained, determined by the location of the bonded atoms in rows of the periodic table. Displacements between successive curves correspond closely to those in Badger's rule for quadratic force constants (for which the parameters are redetermined to accord with all data now available). Constants for excited electronic and ionic states appear on practically the same curves as those for the ground states. Predictions based on the diatomic correlations agree with the available cubic constants for bond stretching in polyatomic molecules, regardless of the type of bonding involved. Implications of these regularities are discussed. (auth)},
doi = {10.1063/1.1731952},
journal = {Journal of Chemical Physics (U.S.)},
number = ,
volume = Vol: 35,
place = {United States},
year = {Tue Aug 01 00:00:00 EDT 1961},
month = {Tue Aug 01 00:00:00 EDT 1961}
}