Size-dependent conformational change in halogen-π interaction: from benzene to graphene.

Citation data:

Chemical communications (Cambridge, England), ISSN: 1364-548X, Vol: 53, Issue: 45, Page: 6140-6143

Publication Year:
2017
Usage 2
Abstract Views 2
Captures 4
Readers 4
Citations 6
Citation Indexes 6
Repository URL:
http://scholarworks.unist.ac.kr/handle/201301/22311
PMID:
28534583
DOI:
10.1039/c7cc03116e
Author(s):
Kim, Dong Yeon; Madridejos, Jenica Marie L.; Ha, Miran; Kim, Jun-Hyeong; Yang, David ChangMo; Baig, Chunggi; Kim, Kwang S.
Publisher(s):
Royal Society of Chemistry (RSC); The Royal Society of Chemistry; ROYAL SOC CHEMISTRY
Tags:
Chemical Engineering; Materials Science; Chemistry
article description
Diatomic halogen molecules X (X = Cl/Br) favor the edge-to-face conformation on benzene with significant electrostatic interaction via halogen bonding. In contrast, they favor the stacked conformation on graphene with negligible electrostatic interaction. As the aromatic ring expands, the inner facial side becomes almost electrostatically neutral. On coronene, the two conformations are compatible.