Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by TeN chalcogen bonding.

Nikolay A Puskarevsky,Andrey V Zibarev,Jens Beckmann,Alexey A Dmitriev,Ignacio Vargas-Baca,Anton I Smolentsev,Nina P Gritsan

doi:10.1039/c9cc08110k

Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by TeN chalcogen bonding.

Nikolay A Puskarevsky, Andrey V Zibarev + Show 5 more

https://doi.org/10.1039/c9cc08110k

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Journal: Journal of the Chemical Society Chemical Communications	Publication Date: Jan 1, 2020
Citations: 18

Affiliation: Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk State University, University of Bremen, University of Greifswald, Institute of Chemical Kinetics and Combustion, McMaster University, Toronto General Hospital

#Asymmetric Bonds #Strong Coupling + Show 3 more

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Abstract

Reduction of 2,1,3-benzotelluradiazole (3) yielded a crystalline solid that features a trimeric dianion formally composed of two [3]˙- and one 3 bridged by unusually asymmetric TeN chalcogen bonds. The solid is diamagnetic due to strong antiferromagnetic coupling, as revealed by CASSCF/CASPT2 and BS-DFT.

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