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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)


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, 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


Projekti:
0098056
0098147

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Davor Margetić (autor)

Avatar Url Mirjana Maksić (autor)

Avatar Url Mario Vazdar (autor)

Citiraj ovu publikaciju:

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)
Margetić, D., Vazdar, M. & Eckert-Maksić, M. (2004) 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. U: Internet Electronic Conference of Molecular Design : IECMD 2004 ; u: Internet Electronic Journal of Molecular Design 2003.
@article{article, author = {Margeti\'{c}, Davor and Vazdar, Mario and Eckert-Maksi\'{c}, Mirjana}, year = {2004}, pages = {1-12}, keywords = {pyramidalization, DFT calculations}, title = {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}, keyword = {pyramidalization, DFT calculations}, publisherplace = {Galveston, SAD} }
@article{article, author = {Margeti\'{c}, Davor and Vazdar, Mario and Eckert-Maksi\'{c}, Mirjana}, year = {2004}, pages = {1-12}, keywords = {pyramidalization, DFT calculations}, title = {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}, keyword = {pyramidalization, DFT calculations}, publisherplace = {Galveston, SAD} }




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