The nature of the C–Br⋯Br–C intermolecular interactions found in molecular crystals: a general theoretical-database study-Reference-Cited by-同舟云学术

The nature of the C–Br⋯Br–C intermolecular interactions found in molecular crystals: a general theoretical-database study

Published:2015 Issue:17 Volume:17 Page:3354-3365
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Capdevila-Cortada Marçal¹²³⁴,Novoa Juan J.¹²³⁴

Affiliation:

1. Departament de Química Física and IQTCUB

2. Facultat de Química

3. Universitat de Barcelona

4. 08028 Barcelona, Spain

Abstract

The properties of C–Br⋯Br–C interactions have been determined by doing MP2 theoretical calculations on model dimers and on dimers taken from the Cambridge Structural Database (presenting Br⋯Br distances within the 3.0 to 4.5 Å range).

Funder

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CE/C5CE00272A

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