Estimating local bonding/antibonding character of canonical molecular orbitals from their energy derivatives. The case of coordinating lone pair orbitals-Reference-Cited by-同舟云学术

Estimating local bonding/antibonding character of canonical molecular orbitals from their energy derivatives. The case of coordinating lone pair orbitals

Published:2016-06-23 Issue:17 Volume:116 Page:1285-1295
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Chaquin Patrick¹,Canac Yves²³,Lepetit Christine²³,Zargarian Davit⁴,Chauvin Remi²³

Affiliation:

1. Laboratoire De Chimie Théorique (LCT), Sorbonne Universités, UPMC Univ Paris 06, CNRS UMR 7616; Paris F-75005 France

2. Laboratoire De Chimie De Coordination, CNRS, LCC; 205, Route De Narbonne, BP 44099 Toulouse Cedex 4 F-31077 France

3. Université De Toulouse, UPS, INPT; Toulouse Cedex 4 F-31077 France

4. Département De Chimie; Université De Montréal; Montréal (Québec) H3C 3J7 Canada

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference45 articles.

1. IUPAC 1997 http://goldbook.iupac.org

2. R. Chauvin

3. 586. Olefin co-ordination compounds. Part III. Infra-red spectra and structure: attempted preparation of acetylene complexes

4. Directing effects in inorganic substitution reactions. Part I. A hypothesis to explain the trans-effect

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