Reduction of 2,1,3-benzotelluradiazole (3) yielded a crystalline solid that features a trimeric dianion formally composed of two - 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.
- 2ND-ORDER PERTURBATION-THEORY
- SUPRAMOLECULAR ASSOCIATION
- ORGANIC RADICALS