Literature DB >> 19072971

The inverted bond in [1.1.1]propellane is a charge-shift bond.

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


  8 in total

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2.  Charge-shift bonding and its manifestations in chemistry.

Authors:  Sason Shaik; David Danovich; Wei Wu; Philippe C Hiberty
Journal:  Nat Chem       Date:  2009-08-24       Impact factor: 24.427

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Journal:  Molecules       Date:  2021-02-09       Impact factor: 4.411

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Authors:  Ronglin Zhong; Min Zhang; Hongliang Xu; Zhongmin Su
Journal:  Chem Sci       Date:  2015-10-27       Impact factor: 9.825

7.  Site-selective functionalization of Si6R6 siliconoids.

Authors:  Yannic Heider; Nadine E Poitiers; Philipp Willmes; Kinga I Leszczyńska; Volker Huch; David Scheschkewitz
Journal:  Chem Sci       Date:  2019-03-14       Impact factor: 9.825

8.  On the Nature of the Bonding in Coinage Metal Halides.

Authors:  Slađana Đorđević; Slavko Radenković; Sason Shaik; Benoît Braïda
Journal:  Molecules       Date:  2022-01-13       Impact factor: 4.411

  8 in total

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