Literature DB >> 19373823

The nature of halogen...halogen interactions: a model derived from experimental charge-density analysis.

Thai Thanh Thu Bui1, Slimane Dahaoui, Claude Lecomte, Gautam R Desiraju, Enrique Espinosa.   

Abstract

Slightly attractive: The attractive and anisotropic nature of the ClCl interaction in C(6)Cl(6) is experimentally demonstrated from an expansion of the electron density rho(r) around the chlorine nuclei. The interaction is explained in a model in which there is a bonding attraction involving electron-deficient (see picture, blue) and electron-rich (red) regions of adjacent Cl atoms.

Entities:  

Year:  2009        PMID： 19373823     DOI： 10.1002/anie.200805739

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  31 in total

1.  Assembling molecular Sierpiński triangle fractals.

Authors:  Jian Shang; Yongfeng Wang; Min Chen; Jingxin Dai; Xiong Zhou; Julian Kuttner; Gerhard Hilt; Xiang Shao; J Michael Gottfried; Kai Wu
Journal:  Nat Chem       Date:  2015-03-30       Impact factor: 24.427

2.  Comparison of halogen bonds in M-X⋯N contacts (M = C, Si, Ge and X = Cl, Br).

Authors:  Hossein Jalali Jahromi; Kiamars Eskandari; Azam Alizadeh
Journal:  J Mol Model       Date:  2015-04-11       Impact factor: 1.810

3.  Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor.

Authors:  Yi-Qi Zhang; Mateusz Paszkiewicz; Ping Du; Liding Zhang; Tao Lin; Zhi Chen; Svetlana Klyatskaya; Mario Ruben; Ari P Seitsonen; Johannes V Barth; Florian Klappenberger
Journal:  Nat Chem       Date:  2018-01-22       Impact factor: 24.427

Review 4.  Hydrogen Bond Enhanced Halogen Bonds: A Synergistic Interaction in Chemistry and Biochemistry.

Authors:  Asia Marie S Riel; Rhianon K Rowe; Ethan N Ho; Anna-Carin C Carlsson; Anthony K Rappé; Orion B Berryman; Pui Shing Ho
Journal:  Acc Chem Res       Date:  2019-07-18       Impact factor: 22.384

5.  4-Chloro-N-(3-chloro-phen-yl)benzamide.

Authors:  Susanta K Nayak; M Kishore Reddy; T N Guru Row
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-09-12

6.  Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis.

Authors:  Darío J R Duarte; Gladis L Sosa; Nélida M Peruchena
Journal:  J Mol Model       Date:  2012-10-18       Impact factor: 1.810

7.  Characterization of halogen···halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study.

Authors:  Mehdi D Esrafili; Mahshad Vakili; Mohammad Solimannejad
Journal:  J Mol Model       Date:  2014-02-11       Impact factor: 1.810

8.  Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines.

Authors:  Maria C Blanco; Alirio Palma; Ali Bahsas; Justo Cobo; Christopher Glidewell
Journal:  Acta Crystallogr C       Date:  2009-08-26       Impact factor: 1.172

9.  3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Authors:  Ju Liu; Zhi-Qiang Cai; Yang Wang; Ming-Jun Jiang; Li-Feng Xu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-04-25

10.  3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-phenyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Authors:  Ju Liu; Zhi-Qiang Cai; Yang Wang; Yu-Li Sang; Li-Feng Xu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-05-31
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