The pnictogen bond: a quantitative molecular orbital picture-Reference-Cited by-同舟云学术

The pnictogen bond: a quantitative molecular orbital picture

Published:2021 Issue:25 Volume:23 Page:13842-13852
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

de Azevedo Santos Lucas¹²³⁴⁵^ORCID,Hamlin Trevor A.¹²³⁴⁵^ORCID,Ramalho Teodorico C.⁶⁷⁸⁹¹⁰^ORCID,Bickelhaupt F. Matthias¹²³⁴⁵^ORCID

Affiliation:

1. Department of Theoretical Chemistry

2. Amsterdam Institute for Molecular and Life Sciences (AIMMS)

3. Amsterdam Center for Multiscale Modeling (ACMM)

4. Vrije Universiteit Amsterdam

5. 1081 HV Amsterdam

6. Department of Chemistry

7. Institute of Natural Sciences

8. Universidade Federal de Lavras

9. Lavras

10. Brazil

Abstract

Our quantitative molecular orbital analyses show that pnictogen bonds are not solely electrostatic phenomena, but also have a strongly stabilizing covalent component, just like chalcogen-, halogen-, and hydrogen bonds.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01571K

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5. P⋯N type pnicogen bonding in phosphorus trichloride–pyridine adduct: A matrix isolation infrared, DFT and ab initio study

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