Halogen bonding. The role of the polarizability of the electron-pair donor-Reference-Cited by-同舟云学术

Halogen bonding. The role of the polarizability of the electron-pair donor

Published:2016 Issue:10 Volume:18 Page:7300-7309
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duarte Darío J. R.¹²³⁴⁵,Sosa Gladis L.⁶⁷⁸⁹¹⁰,Peruchena Nélida M.¹²³⁴⁵,Alkorta Ibon¹¹¹²¹³¹⁴

Affiliation:

1. Laboratorio de Estructura Molecular y Propiedades

2. Área de Química Física

3. Departamento de Química

4. Facultad de Ciencias Exactas y Naturales y Agrimensura

5. Universidad Nacional del Nordeste

6. Laboratorio de Química Teórica y Experimental

7. Departamento de Química. Facultad Regional Resistencia

8. Universidad Tecnológica Nacional

9. (3500) Resistencia

10. Argentina

11. Instituto de Química Médica

12. CSIC

13. E-28006 Madrid

14. Spain

Abstract

The nature of F–Br⋯X–R interactions (with X = Cl, Br, I and R = –H, –F) has been investigated through theoretical calculation of molecular potential electrostatic (MEP), molecular polarizability, atoms in molecules (AIM) analysis and energetic decomposition analysis (EDA).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07941A

Reference54 articles.

1. An overview of halogen bonding

2. Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

3. Halogen bonding and other σ-hole interactions: a perspective

4. Halogen bonding and other noncovalent interactions involving halogens: a terminology issue

5. Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)

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