Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br⋯Br and type II Br⋯Cl interactions

被引：0
|
作者：
MYSORE S PAVAN
TAYUR N GURU ROW
机构：
[1] Indian Institute of Science,Solid State and Structural Chemistry Unit
来源：
Journal of Chemical Sciences | 2016年 / 128卷
关键词：
Halogen bond; electron density analysis; multipole refinement; intermolecular interaction.;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The crystal structure of 4−bromo−2−chlorobenzoic acid generates an unusual triangular motif consisting of a hitherto uncharacterized Type I Br⋯Br contact along with two Type II Br⋯Cl interactions as edges of the triangle. The nature of such bonding is analyzed based on both experimental and theoretical charge density followed by topological analysis.
引用
收藏
页码：1579 / 1587
页数：8
相关论文
共 50 条
  • [1] Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br•••Br and type II Br•••Cl interactions
    Pavan, Mysore S.
    Row, Tayur N. Guru
    JOURNAL OF CHEMICAL SCIENCES, 2016, 128 (10) : 1579 - 1587
  • [2] Role of Hetero-Halogen (F ••• X, X = Cl, Br, and I) or Homo-Halogen (X ••• X, X = F, Cl, Br, and I) Interactions in Substituted Benzanilides
    Nayak, Susanta K.
    Reddy, M. Kishore
    Row, Tayur N. Guru
    Chopra, Deepak
    CRYSTAL GROWTH & DESIGN, 2011, 11 (05) : 1578 - 1596
  • [3] Supramolecular assembly of hetero-halogen (F•••X) or Homo-Halogen (X•••X, X = F, Cl, Br, and I) interactions in substituted benzanilides
    Nayak, Susanta K.
    Reddy, M. Kishore
    Row, Tayur N. Guru
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C601 - C601
  • [4] Polybromides of pyridinium and quinolinium-type cations: Cation-induced structural diversity and theoretical analysis of Br ••• Br interactions
    Gorokh, Igor D.
    Adonin, Sergey A.
    Novikov, Alexander S.
    Sokolov, Maxim N.
    Samsonenko, Denis G.
    Fedin, Vladimir P.
    JOURNAL OF MOLECULAR STRUCTURE, 2019, 1179 : 725 - 731
  • [5] HfX2 (X = Cl, Br, I) Monolayer and Type II Heterostructures with Promising Photovoltaic Characteristics*
    Huang, Xingyong
    Zhou, Liujiang
    Yan, Luo
    Wang, You
    Zhang, Wei
    Xie, Xiumin
    Xu, Qiang
    Song, Hai-Zhi
    CHINESE PHYSICS LETTERS, 2020, 37 (12)
  • [6] ANALYSIS OF INTERACTION BETWEEN F, CL, BR, AND I WITH ORTHOPHOSPHATE USING PAPER-CHROMATOGRAPHY
    DESHAZER, DO
    URSICK, JA
    KISER, DK
    JOURNAL OF CHROMATOGRAPHIC SCIENCE, 1972, 10 (02) : 89 - &
  • [7] TiX2 (X=Cl, Br, I) monolayer and type II heterostructures as promising efficient solar cells
    Huang, Xingyong
    Yan, Luo
    Zhou, Yong
    Zhang, Wei
    Xie, Xiumin
    Xu, Qiang
    Wang, You
    Zhou, Liujiang
    Song, Hai-Zhi
    INTERNATIONAL CONFERENCE ON OPTOELECTRONIC AND MICROELECTRONIC TECHNOLOGY AND APPLICATION, 2020, 11617
  • [8] Mossbauer Spectroscopy of New-Type Gold Mixed-Valence Complexes Cs2[Au(I)X2][Au(III)Y4](X, Y = Cl, Br, I, etc.) with Bridging Hetero-Halogen
    Ikeda, K.
    KURRI Progress Report, 2002,
  • [9] Experimental Charge Density Analysis of the Nature of C-Br•••NC Interactions in Biologically Active Compound.
    Malinska, Maura
    Pribe, Waldemar
    Wozniak, Krzysztof
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2012, 68 : S55 - S55
  • [10] Exploring the Theoretical Kinetic Analysis of Halogen Monoxide (XO, X = Cl, Br, I) Reactivity with Isoprene across Diverse Temperatures
    Bej, Prasanna Kumar
    Rajakumar, Balla
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (51): : 11030 - 11043
12345