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.
| Original language | English |
|---|---|
| Pages (from-to) | 1113-1116 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 56 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - 1 Jan 2020 |
Keywords
- 2ND-ORDER PERTURBATION-THEORY
- X-RAY-STRUCTURE
- SUPRAMOLECULAR ASSOCIATION
- ORGANIC RADICALS
- COMPLEXES
- TELLURIUM
- SPECTRA
- SYSTEMS
- SALTS
- TE
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Puskarevsky, N. A., Smolentsev, A. I., Dmitriev, A. A., Vargas-Baca, I., Gritsan, N. P., Beckmann, J., & Zibarev, A. V. (2020). Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: A pair of radical anions coupled by Te⋯N chalcogen bonding. Chemical Communications, 56(7), 1113-1116. https://doi.org/10.1039/c9cc08110k