TY - JOUR
T1 - Ferromagnetic exchange coupling in a spiro-fused dinuclear nickel(II) complex with an approximate D2d symmetry
AU - Okazawa, Atsushi
AU - Nogami, Takashi
AU - Ishida, Takayuki
N1 - Funding Information:
This work was supported by Grants-in-Aid for Scientific Research (Nos. 15073101, 16550121, and 15550115) from the Ministry of Education, Culture, Sports, Science and Technology, Japan. The authors thank Dr. Takashi Kawakami for kind instruction of ab initio MO calculation.
PY - 2006/8/31
Y1 - 2006/8/31
N2 - Ferromagnetic exchange coupling was operative between nickel(II) spins in a dinuclear nickel(II) complex [{Ni(hfac)2}2(py4C)] with J/kB = +0.57(2) K (H = -2JS1 · S2), where hfac and py4C stand for 1,1,1,5,5,5-hexafluoropentane-2,4-dionate and tetrakis(2-pyridyl)methane, respectively. X-ray crystal structure analysis revealed an approximate D2d symmetry of the [Ni(py4C)Ni] core and accordingly the orthogonal arrangement between the two coordination basal planes. Mechanism of the ferromagnetic coupling was proposed on the basis of the orthogonal dσ-type magnetic orbitals, which was supported by DFT calculation.
AB - Ferromagnetic exchange coupling was operative between nickel(II) spins in a dinuclear nickel(II) complex [{Ni(hfac)2}2(py4C)] with J/kB = +0.57(2) K (H = -2JS1 · S2), where hfac and py4C stand for 1,1,1,5,5,5-hexafluoropentane-2,4-dionate and tetrakis(2-pyridyl)methane, respectively. X-ray crystal structure analysis revealed an approximate D2d symmetry of the [Ni(py4C)Ni] core and accordingly the orthogonal arrangement between the two coordination basal planes. Mechanism of the ferromagnetic coupling was proposed on the basis of the orthogonal dσ-type magnetic orbitals, which was supported by DFT calculation.
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U2 - 10.1016/j.cplett.2006.07.013
DO - 10.1016/j.cplett.2006.07.013
M3 - Article
AN - SCOPUS:33746889483
SN - 0009-2614
VL - 427
SP - 333
EP - 337
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -