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ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH

Journal Article·· Journal of Chemical Physics (U.S.)
DOI:https://doi.org/10.1063/1.1731952·OSTI ID:4842937
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)
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Citation Formats

Herschbach, D R and Laurie, V W. "ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH."Journal of Chemical Physics (U.S.),vol. Vol: 35, Aug. 1961. https://doi.org/10.1063/1.1731952
Herschbach, D R, & Laurie, V W (1961). ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH.Journal of Chemical Physics (U.S.),Vol: 35. https://doi.org/10.1063/1.1731952
Herschbach, D R, and Laurie, V W, "ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH,"Journal of Chemical Physics (U.S.) Vol: 35 (1961), https://doi.org/10.1063/1.1731952
@article{osti_4842937, author = {Herschbach, D R and Laurie, V W}, title = {ANHARMONIC POTENTIAL CONSTANTS AND THEIR DEPENDENCE UPON BOND LENGTH}, annote = {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}, url = {https://www.osti.gov/biblio/4842937}, journal = {Journal of Chemical Physics (U.S.)}, issn = {ISSN JCPSA}, volume = {Vol: 35}, place = {United States}, year = {1961}, month = {08}}
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Research Organization:
Univ. of California, Berkeley
Sponsoring Organization:
USDOE
NSA Number:
NSA-15-029179
OSTI ID:
4842937
Report Number(s):
UCRL-9537; 0021-9606
Journal Information:
Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 35; ISSN JCPSA
Country of Publication:
United States
Language:
English

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