Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol

Magnetically bistable compounds attract considerable attention due to their possible applications in molecular electronics and spintronics devices. Of special interest are spin-crossover (SCO) systems that can interconvert between the low-spin and high-spin states leading to switching of the magneti...

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Главные авторы:	Demidov, O. P., Демидов, О. П.
Формат:	Статья
Язык:	English
Опубликовано:	Royal Society of Chemistry 2025
Темы:	Chlorine compoundsl Molecular electronic device Nitrogen oxides Spin waves Ferric ion Glyceryl trinitrate Nitrogen dioxide Magnetic behavior Succinate dehydrogenase (ubiquinone) Dihydroxybenzenes
Online-ссылка:	https://dspace.ncfu.ru/handle/123456789/30511
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spelling	ir-123456789-305112025-06-18T07:34:46Z Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol Demidov, O. P. Демидов, О. П. Chlorine compoundsl Molecular electronic device Nitrogen oxides Spin waves Ferric ion Glyceryl trinitrate Nitrogen dioxide Magnetic behavior Succinate dehydrogenase (ubiquinone) Dihydroxybenzenes Magnetically bistable compounds attract considerable attention due to their possible applications in molecular electronics and spintronics devices. Of special interest are spin-crossover (SCO) systems that can interconvert between the low-spin and high-spin states leading to switching of the magnetic properties. Synthesis and comprehensive characterization of a family of ionic ferric-dioxolene complexes [(TPA)Fe(HO-DBCat)]ClO4 (1), [(TPA)Fe(NO2-DBCat)]ClO4 (2) and [(TPA)Fe(MeOCH2-DBCat)]ClO4 (3) (TPA = tris(2-pyridylmethyl)amine; HO-DBCat = dianion of 4,6-di-tert-butyl-1,2,3-trihydroxybenzene, NO2-DBCat = dianion of 4,6-di-tert-butyl-3-nitro-1,2-dihydroxybenzene and MeOCH2-DBCat = dianion of 4,6-di-tert-butyl-3-methoxymethyl-1,2-dihydroxybenzene) are reported. Variable temperature structural, magnetic and spectral analyses revealed that compounds 1-3 undergo a thermally induced SCO in the solid state between the high-spin (S = 5/2) and low-spin (S = 1/2) states. Alternating current magnetic susceptibility measurements indicated that the nitro-substituted complex 2 shows a field supported slow magnetic relaxation in the low-spin state at 5000 Oe. Such duality of magnetic properties makes complex 2 the first ferric compound which demonstrates a complete S = 5/2 → S = 1/2 SCO with a single molecule magnet behavior (SMM, S = 1/2). Electronic structures and magnetic properties of 1, 2 and 3 were investigated with the aid of DFT and SA-CASSCF/NEVPT2 calculations. 2025-06-18T07:33:49Z 2025-06-18T07:33:49Z 2025 Статья Chegerev M.G., Demidov O.P., Kubrin S.P., Vasiliev P.N., Efimov N.N., Yue L.-T., Piskunov A.V., Arsenyev M.V., Starikova A.A. Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol // Dalton Transactions. - 2025. - 54 (18). - pp. 7434 - 7448. - DOI: 10.1039/d5dt00437c https://dspace.ncfu.ru/handle/123456789/30511 en Dalton Transactions application/pdf application/pdf Royal Society of Chemistry
institution	СКФУ
collection	Репозиторий
language	English
topic	Chlorine compoundsl Molecular electronic device Nitrogen oxides Spin waves Ferric ion Glyceryl trinitrate Nitrogen dioxide Magnetic behavior Succinate dehydrogenase (ubiquinone) Dihydroxybenzenes
spellingShingle	Chlorine compoundsl Molecular electronic device Nitrogen oxides Spin waves Ferric ion Glyceryl trinitrate Nitrogen dioxide Magnetic behavior Succinate dehydrogenase (ubiquinone) Dihydroxybenzenes Demidov, O. P. Демидов, О. П. Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
description	Magnetically bistable compounds attract considerable attention due to their possible applications in molecular electronics and spintronics devices. Of special interest are spin-crossover (SCO) systems that can interconvert between the low-spin and high-spin states leading to switching of the magnetic properties. Synthesis and comprehensive characterization of a family of ionic ferric-dioxolene complexes [(TPA)Fe(HO-DBCat)]ClO4 (1), [(TPA)Fe(NO2-DBCat)]ClO4 (2) and [(TPA)Fe(MeOCH2-DBCat)]ClO4 (3) (TPA = tris(2-pyridylmethyl)amine; HO-DBCat = dianion of 4,6-di-tert-butyl-1,2,3-trihydroxybenzene, NO2-DBCat = dianion of 4,6-di-tert-butyl-3-nitro-1,2-dihydroxybenzene and MeOCH2-DBCat = dianion of 4,6-di-tert-butyl-3-methoxymethyl-1,2-dihydroxybenzene) are reported. Variable temperature structural, magnetic and spectral analyses revealed that compounds 1-3 undergo a thermally induced SCO in the solid state between the high-spin (S = 5/2) and low-spin (S = 1/2) states. Alternating current magnetic susceptibility measurements indicated that the nitro-substituted complex 2 shows a field supported slow magnetic relaxation in the low-spin state at 5000 Oe. Such duality of magnetic properties makes complex 2 the first ferric compound which demonstrates a complete S = 5/2 → S = 1/2 SCO with a single molecule magnet behavior (SMM, S = 1/2). Electronic structures and magnetic properties of 1, 2 and 3 were investigated with the aid of DFT and SA-CASSCF/NEVPT2 calculations.
format	Статья
author	Demidov, O. P. Демидов, О. П.
author_facet	Demidov, O. P. Демидов, О. П.
author_sort	Demidov, O. P.
title	Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
title_short	Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
title_full	Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
title_fullStr	Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
title_full_unstemmed	Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol
title_sort	dual magnetic behavior of an fe(iii)-dioxolene complex with tri-substituted catechol
publisher	Royal Society of Chemistry
publishDate	2025
url	https://dspace.ncfu.ru/handle/123456789/30511
work_keys_str_mv	AT demidovop dualmagneticbehaviorofanfeiiidioxolenecomplexwithtrisubstitutedcatechol AT demidovop dualmagneticbehaviorofanfeiiidioxolenecomplexwithtrisubstitutedcatechol
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Dual magnetic behavior of an Fe(iii)-dioxolene complex with tri-substituted catechol

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