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


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 (međunarodna recenzija, članak, znanstveni)


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

Autori
Tomić, Antonija ; Živković, Tomislav

Izvornik
Croatica chemica acta (0011-1643) 82 (2009), 2; 561-566

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Vibrational isotope effect; deuterated thiophenes; out-of-plane vibrations; interlacing rule; low rank perturbation

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekt / tema
098-0982915-2942 - Razvoj matematičkih metoda za opis strukture, dinamike i reaktivnosti molekula (Darko Babić, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Antonija Tomić, (326513)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus