Pregled bibliografske jedinice broj: 188631
Syn-2, 7-disilatetracyclo[6.2.1.13, 602, 7]dodec-2(7)-ene: Structural Influence of Incorporation of Disilene into Sesquinorbornene Framework: A DFT Study
syn-2, 7-disilatetracyclo[6.2.1.13, 602, 7]dodec-2(7)-ene: Structural Influence of Incorporation of Disilene into Sesquinorbornene Framework: A DFT Study // Internet Electronic Conference of Molecular Design : IECMD 2004 ; u: Internet Electronic Journal of Molecular Design 2003
Galveston (TX), Sjedinjene Američke Države, 2004. str. 1-12 (poster, nije recenziran, cjeloviti rad (in extenso), znanstveni)
CROSBI ID: 188631 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Syn-2, 7-disilatetracyclo[6.2.1.13, 602, 7]dodec-2(7)-ene: Structural Influence of Incorporation of Disilene into Sesquinorbornene Framework: A DFT Study
Autori
Margetić, Davor ; Vazdar, Mario ; Eckert-Maksić, Mirjana
Vrsta, podvrsta i kategorija rada
Radovi u zbornicima skupova, cjeloviti rad (in extenso), znanstveni
Izvornik
Internet Electronic Conference of Molecular Design : IECMD 2004 ; u: Internet Electronic Journal of Molecular Design 2003
/ - , 2004, 1-12
Skup
Internet Electronic Conference of Molecular Design
Mjesto i datum
Galveston (TX), Sjedinjene Američke Države, 29.11.2004. - 12.12.2004
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
pyramidalization; DFT calculations
Sažetak
Quantum chemical calculations of disilene bridge incorporated in sesquinorbornene skeleton using density functional theory at the B3LYP/6-31G* level are reported. Calculated structures of syn- and anti- derivatives of disilasesquinorbornenes showed significant non-planarity and asymmetry of the central Si=Si double bond. The influence of the replacement of the carbon atoms by silicon on molecular and electronic structure of these molecules has been investigated.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
