| Literature DB >> 19072971 |
Wei Wu1, Junjing Gu, Jinshuai Song, Sason Shaik, Philippe C Hiberty.
Abstract
Bonded or not bonded? An ab initio valence bond study of [1.1.1]propellane shows that the two bridgehead carbons are linked by a strong and direct sigma bond that is neither classically covalent nor classically ionic, but rather a charge-shift bond, in which the covalent-ionic resonance energy plays the major role. As such, the central bond of [1.1.1]propellane closely resembles the single bond of difluorine.Entities:
Year: 2009 PMID: 19072971 DOI: 10.1002/anie.200804965
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336