The bonding picture in hypervalent XF3(X = Cl, Br, I, At) fluorides revisited with quantum chemical topology-Reference-Cited by-同舟云学术

The bonding picture in hypervalent XF3(X = Cl, Br, I, At) fluorides revisited with quantum chemical topology

Published:2017-08-03 Issue:32 Volume:38 Page:2753-2762
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Amaouch Mohamed¹,Sergentu Dumitru-Claudiu²³,Steinmetz David¹,Maurice Rémi²,Galland Nicolas³^ORCID,Pilmé Julien¹^ORCID

Affiliation:

1. Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire de Chimie Théorique CC 137 - 4, place Jussieu; F. 75252 Paris Cedex 05 FranceE-mail: pilme@lct.jussieu.fr

2. SUBATECH, UMR CNRS 6457, IN2P3/IMT Atlantique/Université de Nantes, 4 Rue A. Kastler, BP 20722; Nantes Cedex 3 44307 France

3. Laboratoire CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssini'ere, BP 92208; Nantes Cedex 3 44322 France

Funder

French “Agence Nationale de la Recherche” with “Investissements d'Avenir”

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference68 articles.

1. The rotational spectrum of chlorine trifluoride, ClF3. Centrifugal distortion analysis, Cl nuclear magnetic shielding tensor, structure, and the harmonic force field

2. Microwave Spectrum and Molecular Structure of Bromine Trifluoride

3. The Microwave Spectrum and Structure of Chlorine Trifluoride

4. The structure of IF3

5. Spin−Orbit and Relativistic Effects on Structures and Stabilities of Group 17 Fluorides EF3 (E = I, At, and Element 117): Relativity Induced Stability for the D3h Structure of (117)F3

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