Выдержка

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.

Язык оригиналаанглийский
Страницы (с-по)1113-1116
Число страниц4
ЖурналChemical Communications
Том56
Номер выпуска7
DOI
СостояниеОпубликовано - 1 янв 2020

Отпечаток

Chalcogens
Anions
Negative ions
Discrete Fourier transforms
Crystalline materials

Цитировать

@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 = "1",
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.

В: Chemical Communications, Том 56, № 7, 01.01.2020, стр. 1113-1116.

Результат исследования: Научные публикации в периодических изданияхстатья

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

UR - http://www.scopus.com/inward/record.url?scp=85078403494&partnerID=8YFLogxK

U2 - 10.1039/c9cc08110k

DO - 10.1039/c9cc08110k

M3 - Article

C2 - 31894772

AN - SCOPUS:85078403494

VL - 56

SP - 1113

EP - 1116

JO - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

IS - 7

ER -