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

Authors :: Puskarevsky, Nikolay A.
Smolentsev, Anton I.
Dmitriev, Alexey A.
Vargas-Baca, Ignacio
Gritsan, Nina P.
Beckmann, Jens
Zibarev, Andrey V.
Source :: Chemical Communications. 1/21/2020, Vol. 56 Issue 7, p1113-1116. 4p.
Publication Year :: 2020
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. [ABSTRACT FROM AUTHOR]

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