An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes-Reference-Cited by-同舟云学术

An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes

Published:2014 Issue:31 Volume:16 Page:16780-16789
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bartashevich Ekaterina V.¹²³,Pendás Ángel Martín⁴⁵⁶⁷,Tsirelson Vladimir G.⁸⁹

Affiliation:

1. Department of Chemistry

2. South Ural State University (National Research University)

3. 454080 Chelyabinsk, Russia

4. Departamento de Química Física y Análtica

5. Facultad de Química

6. Universidad de Oviedo

7. 33006 Oviedo, Spain

8. D.I. Mendeleev University of Chemical Technology

9. 125047 Moscow, Russia

Abstract

The intramolecular interactions in substituted trinitromethanes, XC(NO₂)₃ (X = F, Cl, I, H) are studied and clarified by using a combination of the Quantum Theory of Atoms in Molecules (QTAIM), the non-covalent interaction analysis and the Interacting Quantum Atoms (IQA) methods.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01257G

Reference65 articles.

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