Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts
Nikolay Semenov
1, 2, 3, 4, 5
,
Ekaterina A Radiush
1, 2, 3, 4, 5
,
Elena A Chulanova
1, 2, 3, 4, 5, 6, 7
,
Alexandra M. Z. Slawin
8, 9, 10, 11, 12
,
J. Derek Woollins
13, 14, 15, 16, 17
,
Evgeny M Kadilenko
4, 5, 6, 7, 18, 19, 20
,
Irina Yu. Bagryanskaya
1, 2, 3, 4, 5
,
Irina G Irtegova
1, 2, 3, 4, 5
,
Artem S Bogomyakov
4, 5, 6, 7, 19, 21, 22
,
Leonid A Shundrin
1, 2, 3, 4, 5, 6, 7
,
N.P Gritsan
3, 4, 5, 18, 20, 23, 24
,
Andrey V. Zibarev
1, 2, 3, 4, 5, 23, 24
2
Institute of Organic Chemistry
3
Siberian branch of the Russian Academy of sciences
4
630090 Novosibirsk
|
5
Russia
|
7
Department of Natural Sciences
9
School of chemistry
11
ST ANDREWS
|
12
UK
|
14
DEPARTMENT OF CHEMISTRY
16
Abu Dhabi
|
17
United Arab Emirates
|
24
Department of Physics
Publication type: Journal Article
Publication date: 2019-09-12
scimago Q2
wos Q3
SJR: 0.493
CiteScore: 5.0
Impact factor: 2.5
ISSN: 11440546, 13699261
Materials Chemistry
General Chemistry
Catalysis
Abstract
5,6-Dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine 1 was synthesized and electrochemically and chemically reduced into its radical anion [1]˙−, which was characterized by EPR spectroscopy and DFT calculations, and isolated in the form of homospin salts [K(18-crown-6)]+[1]˙− (2) and [Na(18-crown-6)]+[1]˙− (3). The crystal structure of 2 revealed π-dimers of [1]˙− featuring a shortened interplanar separation of 3.18 Å, and that of 3 showed chains of alternating cations and anions. DFT and CASSCF calculations on the π-dimers of [1]˙− suggest a closed-shell singlet ground state with a noticeable contribution of diradical character. According to EPR and SQUID magnetometry, salt 2 is diamagnetic in the range of 2–300 K, whereas salt 3 is paramagnetic and reveals weak antiferromagnetic exchange interactions.
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Total citations:
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Citations from 2025:
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Semenov N. et al. Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts // New Journal of Chemistry. 2019. Vol. 43. No. 41. pp. 16331-16337.
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Semenov N. et al. Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts // New Journal of Chemistry. 2019. Vol. 43. No. 41. pp. 16331-16337.
Cite this
RIS
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TY - JOUR
DO - 10.1039/C9NJ04069B
UR - https://xlink.rsc.org/?DOI=C9NJ04069B
TI - Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts
T2 - New Journal of Chemistry
AU - Semenov, Nikolay
AU - Radiush, Ekaterina A
AU - Chulanova, Elena A
AU - Slawin, Alexandra M. Z.
AU - Woollins, J. Derek
AU - Kadilenko, Evgeny M
AU - Bagryanskaya, Irina Yu.
AU - Irtegova, Irina G
AU - Bogomyakov, Artem S
AU - Shundrin, Leonid A
AU - Gritsan, N.P
AU - Zibarev, Andrey V.
PY - 2019
DA - 2019/09/12
PB - Royal Society of Chemistry (RSC)
SP - 16331-16337
IS - 41
VL - 43
SN - 1144-0546
SN - 1369-9261
ER -
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@article{2019_Semenov,
author = {Nikolay Semenov and Ekaterina A Radiush and Elena A Chulanova and Alexandra M. Z. Slawin and J. Derek Woollins and Evgeny M Kadilenko and Irina Yu. Bagryanskaya and Irina G Irtegova and Artem S Bogomyakov and Leonid A Shundrin and N.P Gritsan and Andrey V. Zibarev and others},
title = {Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts},
journal = {New Journal of Chemistry},
year = {2019},
volume = {43},
publisher = {Royal Society of Chemistry (RSC)},
month = {sep},
url = {https://xlink.rsc.org/?DOI=C9NJ04069B},
number = {41},
pages = {16331--16337},
doi = {10.1039/C9NJ04069B}
}
Cite this
MLA
Copy
Semenov, Nikolay, et al. “Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts.” New Journal of Chemistry, vol. 43, no. 41, Sep. 2019, pp. 16331-16337. https://xlink.rsc.org/?DOI=C9NJ04069B.