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

Dong Yeon Kim; Jenica Marie L. Madridejos; Miran Ha; Jun Hyeong Kim; David Changmo Yang; Chunggi Baig; Kwang S. Kim

doi:10.1039/c7cc03116e

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

Dong Yeon Kim
, Jenica Marie L. Madridejos
, Miran Ha
, Jun Hyeong Kim
, David Changmo Yang
, Chunggi Baig
, Kwang S. Kim^*

^*Corresponding author for this work

Department of Chemistry

Ulsan National Institute of Science and Technology

Research output: Contribution to journal › Journal article › peer-review

20 Scopus citations

Abstract

Diatomic halogen molecules X₂ (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.

Original language	English
Pages (from-to)	6140-6143
Number of pages	4
Journal	Chemical Communications
Volume	53
Issue number	45
DOIs	https://doi.org/10.1039/c7cc03116e
State	Published - 2017

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title = "Size-dependent conformational change in halogen-π interaction: From benzene to graphene",

abstract = "Diatomic halogen molecules X2 (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.",

author = "Kim, \{Dong Yeon\} and Madridejos, \{Jenica Marie L.\} and Miran Ha and Kim, \{Jun Hyeong\} and Yang, \{David Changmo\} and Chunggi Baig and Kim, \{Kwang S.\}",

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year = "2017",

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language = "English",

volume = "53",

pages = "6140--6143",

journal = "Chemical Communications",

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T1 - Size-dependent conformational change in halogen-π interaction

T2 - From benzene to graphene

AU - Kim, Dong Yeon

AU - Madridejos, Jenica Marie L.

AU - Ha, Miran

AU - Kim, Jun Hyeong

AU - Yang, David Changmo

AU - Baig, Chunggi

AU - Kim, Kwang S.

PY - 2017

Y1 - 2017

N2 - Diatomic halogen molecules X2 (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.

AB - Diatomic halogen molecules X2 (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.

UR - https://www.scopus.com/pages/publications/85021777733

U2 - 10.1039/c7cc03116e

DO - 10.1039/c7cc03116e

M3 - Journal article

C2 - 28534583

AN - SCOPUS:85021777733

SN - 1359-7345

VL - 53

SP - 6140

EP - 6143

JO - Chemical Communications

JF - Chemical Communications

IS - 45

ER -

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

Abstract

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