Influence of Polarity and Ionic Strength on Intramolecular Spin Exchange in a Short Nitroxide Biradical, Containing Sulphur Atom in the Bridge | Sciact - CRIS-система Института катализа

Influence of Polarity and Ionic Strength on Intramolecular Spin Exchange in a Short Nitroxide Biradical, Containing Sulphur Atom in the Bridge Научная публикация

Журнал

Applied Magnetic Resonance
ISSN: 0937-9347 , E-ISSN: 1613-7507

Вых. Данные

Год: 2018, Том: 49, Номер: 10, Страницы: 1059-1073 Страниц : 15 DOI: 10.1007/s00723-018-1041-y

Ключевые слова

ConformationsElectron spin resonance spectroscopyIon exchangeIonic liquidsParamagnetic resonanceQuantum chemistrySulfur

Авторы

Kokorin A.I. ^1,2 , Mladenova-Kattnig B.Y. ³ , Gromov O.I. ⁴ , Shubin A.A. ^5,6 , Zaripov R.B. ⁷ , Grampp G. ³

Организации

1	N. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russian Federation
2	Plekhanov Russian University of Economics, Moscow, Russian Federation
3	Institute of Physical and Theoretical Chemistry, Graz University of Technology, Graz, Austria
4	Chemistry Department, M. V. Lomonosov Moscow State University, Moscow, Russian Federation
5	Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russian Federation
6	Novosibirsk State University, Novosibirsk, Russian Federation
7	Zavoisky Kazan Physical-Technical Institute, FRC Kazan Scientifc Center of RAS, Kazan, Russian Federation

A short nitroxide biradical: O=S(OR6)2 (BS), where OR6 is 1-oxyl-2,2,6,6-tetramethyl-4-oxypiperidine, has been studied by electron paramagnetic resonance spectroscopy at X-, Q-, and W-band in liquid and frozen toluene, ethanol and ionic liquid solutions. Variations of the intramolecular dynamics and conformational transitions in the biradical as a function of temperature in the range of 240–420 K, polarity and the ionic strength were characterized by changes in the isotropic 14N hyperfine splitting (hfs) constant a, values of the exchange integral |J|, and the empirical parameter γ3, the ratio between conformations with slow and fast transitions. Thermodynamic parameters of the conformational rearrangements are calculated. The obtained results were compared with the X-ray structural data and quantum chemical calculations of the geometries and intramolecular transitions of biradical BS. Possible mechanisms of the polarity and the ionic strength effect on the biradical behavior in solutions of different types are discussed.

Kokorin A.I. , Mladenova-Kattnig B.Y. , Gromov O.I. , Shubin A.A. , Zaripov R.B. , Grampp G.
Influence of Polarity and Ionic Strength on Intramolecular Spin Exchange in a Short Nitroxide Biradical, Containing Sulphur Atom in the Bridge
Applied Magnetic Resonance. 2018. V.49. N10. P.1059-1073. DOI: 10.1007/s00723-018-1041-y WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	18 мая 2018 г.
Опубликована online:	17 июл. 2018 г.
Опубликована в печати:	1 окт. 2018 г.

Web of science:	WOS:000444236900002
Scopus:	2-s2.0-85049998790
РИНЦ:	35757493
Chemical Abstracts:	2018:1362022
OpenAlex:	W2885002796

БД	Цитирований
Web of science	3
Scopus	3
РИНЦ	3
OpenAlex	2