On the vibrational interlacing rule in deuterated thiophenes

Summary: 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...

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Matična publikacija: Croatica chemica acta
82 (2009), 2 ; str. 561-566
Glavni autor: Tomić, Antonija, kemičarka (-)
Ostali autori: Živković, Tomislav P. (-)
Vrsta građe: Članak
Jezik: eng
Predmet:
Online pristup: Croatica Chemica Acta
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100 1 |a Tomić, Antonija,  |c kemičarka 
245 1 0 |a On the vibrational interlacing rule in deuterated thiophenes :  |b I. out-of-plane vibrations /  |c Antonija Tomić, Tomislav P. Živković. 
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504 |a Bibliografija: 15 jed 
520 8 |a Summary: 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 
653 0 |a Vibracijske frekvencije  |a Izvan-ravninske vibracije  |a Molekule  |a Tiofeni  |a Deuterirani tiofeni 
700 1 |a Živković, Tomislav P. 
773 0 |t Croatica chemica acta  |x 0011-1643  |g 82 (2009), 2 ; str. 561-566  |w nsk.(HR-ZaNSK)000001621 
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856 4 2 |u http://hrcak.srce.hr/cca  |y Croatica Chemica Acta