Pregled bibliografske jedinice broj: 401113
On the vibrational interlacing rule in deuterated thiophenes : I. Out-of-plane vibrations
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)
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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
Projekti:
098-0982915-2942 - Razvoj matematičkih metoda za opis strukture, dinamike i reaktivnosti molekula (Babić, Darko, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Antonija Tomić
(autor)
Citiraj ovu publikaciju:
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
