Premium
Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity
Author(s) -
Dutta Basudeb,
Pratik Saied Md,
Jana Srikanta,
Sinha Chittaranjan,
Datta Ayan,
Mir Mohammad Hedayetullah
Publication year - 2018
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201800738
Subject(s) - aromaticity , ring (chemistry) , chelation , ligand (biochemistry) , chemistry , crystallography , polymer , metal , pi interaction , molecule , inorganic chemistry , organic chemistry , receptor , biochemistry
A one‐dimensional coordination polymer (1D CP) [Cu(nip)(4‐brpy) 2 ] (1) containing 16‐member metal‐ligand chelate ring exhibits unprecedented Br⋅⋅⋅π(chelate) interaction. The nucleus‐independent chemical shifts (NICS) calculation reveals that the chelate ring has aromaticity and strong interaction energy (‐24.8 kcal/mol) which plays important role in molecular self‐assembly in the crystal structure.