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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


Margetić, Davor; Vazdar, Mario; Eckert-Maksić, Mirjana
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, SAD, 2004. str. 1-12 (poster, nije recenziran, cjeloviti rad (in extenso), znanstveni)


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, SAD, 29.11.-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


Projekt / tema
0098056
0098147

Ustanove
Institut "Ruđer Bošković", Zagreb