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On the vibrational interlacing rule in deuterated thiophenes : I. Out-of-plane vibrations (CROSBI ID 151276)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Tomić, Antonija ; Živković, Tomislav On the vibrational interlacing rule in deuterated thiophenes : I. Out-of-plane vibrations // Croatica chemica acta, 82 (2009), 2; 561-566

Podaci o odgovornosti

Tomić, Antonija ; Živković, Tomislav

engleski

On the vibrational interlacing rule in deuterated thiophenes : I. Out-of-plane vibrations

According to the interlacing rule, if A and B_t are two molecules which differ by a single isotopic substitution at atomic site t, vibrational frequencies of a molecule A are interlaced with the vibrational frequencies of molecule B_t. 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

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Podaci o izdanju

82 (2)

2009.

561-566

objavljeno

0011-1643

Povezanost rada

Fizika, Kemija

Poveznice
Indeksiranost