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(Azulene-1,3-diyl)-bis(nitronyl nitroxide) and (Azulene-1,3-diyl)-bis(iminonitroxide) and Their Copper Complexes. / Haraguchi, Makoto; Tretyakov, Evgeny; Gritsan, Nina и др.
в: Chemistry - An Asian Journal, Том 12, № 22, 16.11.2017, стр. 2929-2941.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - (Azulene-1,3-diyl)-bis(nitronyl nitroxide) and (Azulene-1,3-diyl)-bis(iminonitroxide) and Their Copper Complexes
AU - Haraguchi, Makoto
AU - Tretyakov, Evgeny
AU - Gritsan, Nina
AU - Romanenko, Galina
AU - Gorbunov, Dmitry
AU - Bogomyakov, Artem
AU - Maryunina, Kseniya
AU - Suzuki, Shuichi
AU - Kozaki, Masatoshi
AU - Shiomi, Daisuke
AU - Sato, Kazunobu
AU - Takui, Takeji
AU - Nishihara, Sadafumi
AU - Inoue, Katsuya
AU - Okada, Keiji
N1 - Publisher Copyright: © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/11/16
Y1 - 2017/11/16
N2 - In contrast to diradicals connected by alternant hydrocarbons, only a few studies on those connected by nonalternant hydrocarbons have been reported. The syntheses, structures, and magnetic properties of azulene-1,3-diyl linked bis(nitronyl nitroxide) (NN2Az) and bis(iminonitroxide) (IN2Az) diradicals and their Cu(hfac)2 (hfac=hexafluoroacetylacetonate) complexes were investigated. NN2Az was shown to have an intramolecular ferromagnetic interaction with Jobs/kB=+10.0 K (H=−2JS1⋅S2) between (nitronyl nitroxide) spins, whereas IN2Az was estimated to have a much weaker intramolecular magnetic interaction. The reactions of NN2Az and IN2Az with Cu(hfac)2 gave a 1:2 [{Cu(hfac)2}2(NN2Az)] complex and a 1:1 [Cu(hfac)2(IN2Az)]⋅C6H12 complex, respectively. [{Cu(hfac)2}2(NN2Az)] showed strong intramolecular antiferromagnetic interactions (J1-Cu-R/kB≈−800 K, J2-Cu-R/kB≈−500 K) between the CuII spins and the coordinating NN spins, whereas [Cu(hfac)2(IN2Az)] exhibited a ferromagnetic exchange interaction (Jobs-Cu-R/kB=+114 K) between the CuII spin and the imino-coordinated iminonitroxide spin.
AB - In contrast to diradicals connected by alternant hydrocarbons, only a few studies on those connected by nonalternant hydrocarbons have been reported. The syntheses, structures, and magnetic properties of azulene-1,3-diyl linked bis(nitronyl nitroxide) (NN2Az) and bis(iminonitroxide) (IN2Az) diradicals and their Cu(hfac)2 (hfac=hexafluoroacetylacetonate) complexes were investigated. NN2Az was shown to have an intramolecular ferromagnetic interaction with Jobs/kB=+10.0 K (H=−2JS1⋅S2) between (nitronyl nitroxide) spins, whereas IN2Az was estimated to have a much weaker intramolecular magnetic interaction. The reactions of NN2Az and IN2Az with Cu(hfac)2 gave a 1:2 [{Cu(hfac)2}2(NN2Az)] complex and a 1:1 [Cu(hfac)2(IN2Az)]⋅C6H12 complex, respectively. [{Cu(hfac)2}2(NN2Az)] showed strong intramolecular antiferromagnetic interactions (J1-Cu-R/kB≈−800 K, J2-Cu-R/kB≈−500 K) between the CuII spins and the coordinating NN spins, whereas [Cu(hfac)2(IN2Az)] exhibited a ferromagnetic exchange interaction (Jobs-Cu-R/kB=+114 K) between the CuII spin and the imino-coordinated iminonitroxide spin.
KW - azulenes
KW - copper
KW - nonalternant hydrocarbons
KW - quantum chemistry
KW - radicals
KW - EXCHANGE INTERACTIONS
KW - AB-INITIO
KW - CORRELATION-ENERGY
KW - PYRAZOLYL-SUBSTITUTED NITRONYL
KW - PERTURBATION-THEORY
KW - DIRADICALS
KW - MAGNETIC-PROPERTIES
KW - IMINO NITROXIDES
KW - METAL-COMPLEXES
KW - ELECTRON-DENSITY
UR - http://www.scopus.com/inward/record.url?scp=85033223629&partnerID=8YFLogxK
U2 - 10.1002/asia.201701085
DO - 10.1002/asia.201701085
M3 - Article
C2 - 28940948
AN - SCOPUS:85033223629
VL - 12
SP - 2929
EP - 2941
JO - Chemistry - An Asian Journal
JF - Chemistry - An Asian Journal
SN - 1861-4728
IS - 22
ER -
ID: 9032590