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

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

doi:10.1039/C9CC08110K

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Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by Te⋯N chalcogen bonding†

Nikolay A. Puskarevsky,

*^ab Anton I. Smolentsev,^ab Alexey A. Dmitriev,

^cd Ignacio Vargas-Baca,

*^e Nina P. Gritsan,

^cd Jens Beckmann

*^f and Andrey V. Zibarev

*^dg

Author affiliations

* Corresponding authors

^a Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia
E-mail: nikolay@niic.nsc.ru

^b Department of Natural Sciences, Novosibirsk State University, 630090 Novosibirsk, Russia

^c Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia

^d Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russia

^e Department of Chemistry and Chemical Biology, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1, Canada
E-mail: vargas@chemistry.mcmaster.ca

^f Institute for Inorganic Chemistry and Crystallography, University of Bremen, 28359 Bremen, Germany
E-mail: j.beckmann@uni-bremen.de

^g Vorozhtsov Institute of Organic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia
E-mail: zibarev@nioch.nsc

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 Te⋯N chalcogen bonds. The solid is diamagnetic due to strong antiferromagnetic coupling, as revealed by CASSCF/CASPT2 and BS-DFT.

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DOI: https://doi.org/10.1039/C9CC08110K
Article type: Communication
Submitted: 16 Oct 2019
Accepted: 16 Dec 2019
First published: 17 Dec 2019

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Chem. Commun., 2020,56, 1113-1116

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

N. A. Puskarevsky, A. I. Smolentsev, A. A. Dmitriev, I. Vargas-Baca, N. P. Gritsan, J. Beckmann and A. V. Zibarev, Chem. Commun., 2020, 56, 1113 DOI: 10.1039/C9CC08110K

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Chemical Communications

Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by Te⋯N chalcogen bonding†

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