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Theoretical Studies on How to Tune the π-hole Pnicogen Bonds by Substitution and Cooperative Effects
  • Lijuan Zhang,
  • Dazhi Li
Lijuan Zhang
Binzhou University

Corresponding Author:[email protected]

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Dazhi Li
Binzhou University
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Abstract

A systemic investigation of the substitution and cooperative effects on the P…N π-hole pnicogen bond were performed via theoretical calculations. The structural and energetic properties of the binary complexes between a series of substituted benzonitrile and PO2F have been examined to study the substitution effect. The stability of the binary complexes increases in the order of CN

Peer review status:Published

31 Jul 2020Submitted to International Journal of Quantum Chemistry
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31 Jul 2020Submission Checks Completed
31 Jul 2020Assigned to Editor
04 Aug 2020Reviewer(s) Assigned
24 Sep 2020Review(s) Completed, Editorial Evaluation Pending
24 Sep 2020Editorial Decision: Revise Minor
29 Sep 20201st Revision Received
01 Oct 2020Submission Checks Completed
01 Oct 2020Assigned to Editor
20 Oct 2020Reviewer(s) Assigned
20 Oct 2020Review(s) Completed, Editorial Evaluation Pending
20 Oct 2020Editorial Decision: Accept
15 Mar 2021Published in International Journal of Quantum Chemistry volume 121 issue 6. 10.1002/qua.26531