File(s) not publicly available
Pyramidalized olefins : a DFT study of the homosesquinorbornene and sesquibicyclo[2.2.2]octene nuclei
journal contribution
posted on 2017-12-06, 00:00 authored by D Margetic, R Williams, Ronald WarrenerRonald WarrenerDensity functional theory (B3LYPl6-31G*) was used to study a series of homosesquinorbornenes and sesquibicyclo[2.2.2loctenes. The compounds in which the two faces of the double bond are different are predicted to have a pyramidal double bond with butterfly bendings (v) ranging from 1.8 to 17.9". The degree of pyramidalization of these central double bonds is greater in the homosesquinorbornenes than in the sesquibicyclo[2.2.2loctenes.
Funding
Category 1 - Australian Competitive Grants (this includes ARC, NHMRC)
History
Volume
68Issue
24Start Page
9186End Page
9190Number of Pages
5ISSN
0022-3263Location
Washington, USAPublisher
American Chemical SocietyPublisher DOI
Language
en-ausPeer Reviewed
- Yes
Open Access
- No
External Author Affiliations
Faculty of Arts, Health and Sciences; Institut Ruđer Bos̆ković; University of Idaho;Era Eligible
- Yes