Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State-Reference-Cited by-同舟云学术

Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State

Published:2024-08-01 Issue:1 Volume:50 Page:3-10
ISSN:0132-344X
Container-title:Координационная химия
language:
Short-container-title:Koordinacionnaâ himiâ

Author:

Vershinin M. A.¹,Novikov A. S.²,Sokolov M. N.¹,Adonin S. A.¹

Affiliation:

1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch

2. St. Petersburg State University

Abstract

The reactions of zinc(II) bromide with 3- and 4-iodobenzonitriles (3-I-BzCN and 4-I-Bz-CN) afford heteroligand complexes [L2ZnBr2] (L = 3-I-BzCN (I) and 4-I-BzCN (II)), whose structures are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2253175 (I) and 2253176 (II)). Both crystal structures contain halogen bonds I···Br linking the [ZnBr2L2] fragments into supramolecular layers (I) or chains (II). The energies of these noncovalent interactions are estimated by quantum-chemical calculations.

Publisher

The Russian Academy of Sciences

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