Pregled bibliografske jedinice broj: 237587
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium // New Journal of Chemistry, 30 (2006), 1149-1154 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 237587 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium
Autori
Margetić, Davor ; Eckert-Maksić, Mirjana
Izvornik
New Journal of Chemistry (1144-0546) 30
(2006);
1149-1154
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Diels-Alder reaction; dienes; cycloaddition; DFT calculations
Sažetak
Results of DFT (B3LYP/LAN2DZ) quantum-chemical study of reactivity of penta- and hexacyclic metalloles (Si, Ge and Sn) in Diels-Alder cycloaddition reactions are described. It was found that computational method employed correctly predicted experimentally observed stereochemical outcome of the related reactions, which are governed by steric interactions in the transition states.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
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
