On the Vibrational Interlacing Rule in Deuterated Thiophene: I. Out-of-plane VibrationsReportar como inadecuado




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Croatica Chemica Acta, Vol.82 No.2 July 2009. -

According to the interlacing rule, if A and Bτ are two molecules which differ by a single isotopic substitution at atomic site τ, vibrational frequencies of a molecule A are interlaced with the vibrational frequencies of molecule Bτ. This rule is valid within the harmonic approximation, and in the case of planar

molecules one has two interlacing rules, one for in-plane and another for out-of-plane frequencies. The validity of this rule is verified for theoretical and experimental out-of-plane frequencies of thiophene and deuterated thiophene molecules. This rule can help to analyze vibrational spectra, especially in assignments of experimental frequencies to various vibrational types.

vibrational isotope effect; deuterated thiophenes; out-of-plane vibrations; interlacing rule; Low rank perturbation



Autor: Antonija Tomić - ; Ruđer Bošković Institute, P.O. Box 180, HR-10002 Zagreb, Croatia Tomislav P. Živković - ; Ruđer Boškov

Fuente: http://hrcak.srce.hr/



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