The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective-Reference-Cited by-同舟云学术

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Published:2016 Issue:38 Volume:18 Page:26383-26390
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guevara-Vela José Manuel¹²³⁴,Romero-Montalvo Eduardo⁵⁶⁷⁸⁹,Costales Aurora¹²³⁴,Pendás Ángel Martín¹²³⁴,Rocha-Rinza Tomás⁵⁶⁷⁸⁹

Affiliation:

1. Department of Analytical and Physical Chemistry

2. University of Oviedo

3. Oviedo

4. Spain

5. Institute of Chemistry

6. National Autonomous University of Mexico

7. Circuito Exterior

8. Ciudad Universitaria

9. Mexico City

Abstract

We give a new interpretation of Resonance Assisted Hydrogen Bonds (RAHBs) in which RAHB formation leads to an overall electron localization excluding covalency as the main source of stabilization. The most relevant contributions to the RAHB energetics are electrostatics, polarization and charge transfer.

Funder

Dirección General Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Consejo Nacional de Ciencia y Tecnología

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/C6CP04386K

Reference61 articles.

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4. The nature of the hydrogen bond: A synthesis from the interacting quantum atoms picture

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