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On the Vibrational Interlacing Rule in Linear and Planar Molecules

Tomislav P. Živković ; Ruđer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia

Puni tekst: engleski, pdf (127 KB) str. 945-956 preuzimanja: 171* citiraj
APA 6th Edition
Živković, T.P. (2002). On the Vibrational Interlacing Rule in Linear and Planar Molecules. Croatica Chemica Acta, 75 (4), 945-956. Preuzeto s https://hrcak.srce.hr/131756
MLA 8th Edition
Živković, Tomislav P.. "On the Vibrational Interlacing Rule in Linear and Planar Molecules." Croatica Chemica Acta, vol. 75, br. 4, 2002, str. 945-956. https://hrcak.srce.hr/131756. Citirano 23.06.2021.
Chicago 17th Edition
Živković, Tomislav P.. "On the Vibrational Interlacing Rule in Linear and Planar Molecules." Croatica Chemica Acta 75, br. 4 (2002): 945-956. https://hrcak.srce.hr/131756
Harvard
Živković, T.P. (2002). 'On the Vibrational Interlacing Rule in Linear and Planar Molecules', Croatica Chemica Acta, 75(4), str. 945-956. Preuzeto s: https://hrcak.srce.hr/131756 (Datum pristupa: 23.06.2021.)
Vancouver
Živković TP. On the Vibrational Interlacing Rule in Linear and Planar Molecules. Croatica Chemica Acta [Internet]. 2002 [pristupljeno 23.06.2021.];75(4):945-956. Dostupno na: https://hrcak.srce.hr/131756
IEEE
T.P. Živković, "On the Vibrational Interlacing Rule in Linear and Planar Molecules", Croatica Chemica Acta, vol.75, br. 4, str. 945-956, 2002. [Online]. Dostupno na: https://hrcak.srce.hr/131756. [Citirano: 23.06.2021.]

Sažetak
If A and Br are two molecules that differ by a single isotopic substitution, then in the harmonic approximation vibrational frequencies of molecule A are interlaced with vibrational frequencies of molecule Br This interlacing rule is a generalization of the well known order rule. The interlacing rule is particularly simple in the case of stretching and bending vibrations of linear molecules as well as in the case of out-of-plane vibrations of planar molecules. The validity of the interlacing rule for these vibrations is demonstrated with a few examples. Violation of this rule indicates either (very unlikely) strong anharmonicity effects, or (more likely) erroneous vibrational assignments. Hence, this rule can help in the analysis of vibrational spectra, in particular in the assignments of experimental frequencies to various vibrational types.

Ključne riječi
interlacing rule; vibrational isotope effect; harmonic approximation; linear molecules; planar molecules

Hrčak ID: 131756

URI
https://hrcak.srce.hr/131756

Posjeta: 294 *