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

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

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

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	https://doi.org/10.1039/c9cc08110k
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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10.1039/c9cc08110k

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@article{b36be3228c4742798acf0a06936694e1,

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

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.",

keywords = "2ND-ORDER PERTURBATION-THEORY, X-RAY-STRUCTURE, SUPRAMOLECULAR ASSOCIATION, ORGANIC RADICALS, COMPLEXES, TELLURIUM, SPECTRA, SYSTEMS, SALTS, TE",

author = "Puskarevsky, {Nikolay A.} and Smolentsev, {Anton I.} and Dmitriev, {Alexey A.} and Ignacio Vargas-Baca and Gritsan, {Nina P.} and Jens Beckmann and Zibarev, {Andrey V.}",

year = "2020",

month = jan,

day = "1",

doi = "10.1039/c9cc08110k",

language = "English",

volume = "56",

pages = "1113--1116",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "7",

}

Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole : A pair of radical anions coupled by Te⋯N chalcogen bonding. / Puskarevsky, Nikolay A.; Smolentsev, Anton I.; Dmitriev, Alexey A.; Vargas-Baca, Ignacio; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.

In: Chemical Communications, Vol. 56, No. 7, 01.01.2020, p. 1113-1116.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole

T2 - A pair of radical anions coupled by Te⋯N chalcogen bonding

AU - Puskarevsky, Nikolay A.

AU - Smolentsev, Anton I.

AU - Dmitriev, Alexey A.

AU - Vargas-Baca, Ignacio

AU - Gritsan, Nina P.

AU - Beckmann, Jens

AU - Zibarev, Andrey V.

PY - 2020/1/1

Y1 - 2020/1/1

N2 - 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.

AB - 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.

KW - 2ND-ORDER PERTURBATION-THEORY

KW - X-RAY-STRUCTURE

KW - SUPRAMOLECULAR ASSOCIATION

KW - ORGANIC RADICALS

KW - COMPLEXES

KW - TELLURIUM

KW - SPECTRA

KW - SYSTEMS

KW - SALTS

KW - TE

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DO - 10.1039/c9cc08110k

M3 - Article

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AN - SCOPUS:85078403494

VL - 56

SP - 1113

EP - 1116

JO - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

IS - 7

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