Premium
Halogen⋅⋅⋅π Interactions in Supramolecular Architecture of 1D Coordination Polymers and Their Electrical Conductance
Author(s) -
Islam Sakhiul,
Datta Joydeep,
Maity Suvendu,
Dutta Basudeb,
Ahmed Faruk,
Ghosh Prasanta,
Ray Partha Pratim,
Mir Mohammad Hedayetullah
Publication year - 2019
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201900578
Subject(s) - supramolecular chemistry , halogen , conductance , chemistry , crystallography , conductivity , electrical resistivity and conductivity , atom (system on chip) , band gap , polymer , sulfur , stereochemistry , materials science , crystal structure , condensed matter physics , organic chemistry , physics , alkyl , optoelectronics , quantum mechanics , computer science , embedded system
Two isotypical Cd(II) based one‐dimensional coordination polymers (1D CPs) [Cd 2 ( p ‐clba) 4 (bpy) 2 ]⋅(C 2 H 5 OH) ( 1 ) and [Cd 2 ( p ‐brba) 4 (bpy) 2 ]⋅(C 2 H 5 OH), ( 2 ) (H 2 p ‐clba= para ‐chlorobenzoic acid, H 2 p ‐brba= para ‐bromobenzoic acid and bpy=4,4′‐bipyridine) have been synthesized and characterized by X‐ray structure analysis. In the solid‐state strcuture, both the compounds undergo X⋅⋅⋅п (X=Cl or Br) interactions to generate two‐dimensional (2D) supramolecular architectures. Here, due to the larger size and more polarisability of Br atom, Br⋅⋅⋅п interaction is stronger than Cl⋅⋅⋅п, which is accounted for the stronger interchain interactions in 2 as compared to 1 . This is depicted in the observed electrical conductivity of the compounds. The compound 2 with stronger interchain interactions shows better charge transport and hence, increasing conductivity. Moreover, band gap of the CPs has been obtained by DFT computation, which also supports the progression of conductivity.