Pregled bibliografske jedinice broj: 589666
π-Electron currents in fixed π-sextet aromatic benzenoids
π-Electron currents in fixed π-sextet aromatic benzenoids // Journal of mathematical chemistry, 50 (2012), 10; 2755-2774 doi:10.1007/s10910-012-0062-2 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 589666 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
π-Electron currents in fixed π-sextet aromatic benzenoids
Autori
Randić, Milan ; Novič, Marjana ; Plavšić, Dejan
Izvornik
Journal of mathematical chemistry (0259-9791) 50
(2012), 10;
2755-2774
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
conjugated circuits; ring currents; CC bond currents; benzenoid hydrocarbons; clar structures
Sažetak
In view of different patterns of π-electron density currents in benzenoid aromatic compounds it is of interest to investigate the pattern of ring currents in various classes of compounds. Recently such a study using a graph theoretical approach to calculating CC bond currents was reported for fully benzenoid hydrocarbons, that is, benzenoid hydrocarbons which have either π-sextets rings or “empty” rings in the terminology of Clar. In this contribution we consider π-electron currents in benzenoid hydrocarbons which have π-electron sextets and C=C bonds fully fixed. Our approach assumes that currents arise from contributions of individual conjugated circuits within the set of Kekulé valence structures of these molecules.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982929-2917 - Spektroskopija NMR i modeliranje bioaktivnih molekula (Plavšić, Dejan, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Dejan Plavšić
(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
Uključenost u ostale bibliografske baze podataka::
- CA Search (Chemical Abstracts)
