Pregled bibliografske jedinice broj: 139597
Pyramidalized Olefins: A DFT Study of the Homosesquinorbornene and Sesquibicyclo[2.2.2]octene Nuclei
Pyramidalized Olefins: A DFT Study of the Homosesquinorbornene and Sesquibicyclo[2.2.2]octene Nuclei // Journal of Organic Chemistry, 68 (2003), 24; 9186-9190 (međunarodna recenzija, članak, znanstveni)
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Naslov
Pyramidalized Olefins: A DFT Study of the Homosesquinorbornene and Sesquibicyclo[2.2.2]octene Nuclei
Autori
Margetić, Davor ; Williams, Richard, V. ; Warrener, Ronald, N.
Izvornik
Journal of Organic Chemistry (0022-3263) 68
(2003), 24;
9186-9190
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
olefin pyramidalyzation; DFT calculations; sesquinorbornenes
Sažetak
Density functional theory (B3LYP/6-31G*) was used to study a series of homosesquinorbornenes and sesquibicyclo[2.2.2]octenes. The compounds in which the two faces of the double bond are different are predicted to have a pyramidal double bond with butterfly bendings ranging from 1.8 to 17.9 degs. The degree of pyramidalization of these central double bonds is greater in the homosesquinorbornenes than in the sesquibicyclo[2.2.2]octenes.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
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
- MEDLINE
Uključenost u ostale bibliografske baze podataka::
- Chemical Abstracts
