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

Autor: Puskarevsky NA; Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia. nikolay@niic.nsc.ru., Smolentsev AI, Dmitriev AA, Vargas-Baca I, Gritsan NP, Beckmann J, Zibarev AV
Jazyk: angličtina
Zdroj: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2020 Jan 23; Vol. 56 (7), pp. 1113-1116.
DOI: 10.1039/c9cc08110k
Abstrakt: 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.
Databáze: MEDLINE