Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands

Author:

Guégan Frédéric1234,Mignon Pierre1234,Tognetti Vincent56789,Joubert Laurent56789,Morell Christophe1234

Affiliation:

1. Laboratoire des Sciences Analytiques

2. UMR CNRS 5280

3. Université Claude Bernard Lyon

4. 1 69622 Villeurbanne Cedex, France

5. Normandy University

6. COBRA UMR 6014 & FR 3038

7. Université de Rouen

8. INSA Rouen

9. CNRS

Abstract

The possibility to retrieve the coordinating properties of ligands by a combined dual descriptor and molecular electrostatic potential analysis is shown, yielding a potentially predictive tool of their ambiphilicity and selectivity.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference46 articles.

1. D. F. Shriver and P. W.Atkins , Inorg. Chem. , Oxford University Press , 3rd edn, 1999

2. J. E. Huheey , Inorganic Chemistry: Principles of Structure and Reactivity , Harper International Edition , 1972

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

4. Chemical reactivity and the concept of charge- and frontier-controlled reactions

5. Intermolecular orbital theory of the interaction between conjugated systems. I. General theory

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