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標題: Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin
作者: Cheng, Ru-Jen
Chen, Yu-Hsuan
Chen, Ching-Chin
Lee, Gene-Hsiang
Peng, Shie-Ming
Chen, Peter Ping-Yu
關鍵字: Carbon-13 Magnetic Resonance Spectroscopy;Cobalt;Electrons;Porphyrins;Spin Labels
Project: Inorganic Chemistry, Volume 53, Issue 17, Page(s) 8848-8850.
Saddle-shaped Co(II)[OET(p-R)PP] (R = CF3, H, CH3) can be readily oxidized with Cl2, Br2, and I2 to the corresponding one-electron-oxidation product Co[OET(p-R)PP]X (X = Cl, Br, I) with the clear character of a ring cation radical. With the series of (1)H and (13)C NMR spectra of these related complexes, both the axial ligand and peripheral substituent of the ring macrocycle are proven to act as a dual channel to tune spin coupling between low-spin Co(II) and a porphyrin π-cation radical. Density functional theory calculations have shown that the antiferromagnetic coupling between spins residing in d(z)(2) and a(2u) are expected to exist as the ground state. The paramagnetic properties are attributed to an a(1u)-type ferromagnetic excited triplet state.
ISSN: 0020-1669
DOI: 10.1021/ic501120k
Appears in Collections:化學系所

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