High level ab initio calculations on ClF n − ( n = 1–6): Recoupled pair bonding involving a closed-shell central ion-Reference-Cited by-同舟云学术

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High level ab initio calculations on ClF n − ( n = 1–6): Recoupled pair bonding involving a closed-shell central ion

Published:2017-09 Issue: Volume:1116 Page:73-85
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Chen Lina,Woon David E.,Dunning Thom H.

Funder

Distinguished Chair for Research Excellence in Chemistry at the University of Illinois at Urbana-Champaign

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference81 articles.

1. Bonding in ClFn (n=1–7) molecules: further insight into the electronic structure of hypervalent molecules and recoupled pair bonds;Chen;J. Phys. Chem. A,2009

2. High level ab initio calculations for ClFn+ (n=1–6) Ions: refining the recoupled pair bonding model;Chen;J. Phys. Chem. A,2013

3. A comparison between polar covalent bonding and hypervalent recoupled pair bonding in diatomic Chalcogen halide species O, S, Se x {F, Cl, Br};Woon;Mol. Phys.,2009

4. Theory of hypervalency: recoupled pair bonding in SFn (n=1–6);Woon;J. Phys. Chem. A,2009

5. Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride;Dunning;J. Chem. Phys.,2015

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