Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/86360
標題: The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical
作者: Cheng, Ru-Jen
Ting, Chiao-Han
Chao, Ten-Chih
Tseng, Tzu-Hsien
Chen, Peter P-Y
關鍵字: Carbon Isotopes
Cations
Free Radicals
Magnetic Resonance Spectroscopy
Metalloporphyrins
Models, Molecular
Nickel
Protons
Quantum Theory
摘要: Ni(III)(OETPP˙)(Br)2 is the first Ni(III) porphyrin radical cation with structural and (1)H and (13)C paramagnetic NMR data for porphyrinate systems. Associating EPR and NMR analyses with DFT calculations as a new model is capable of clearly determining the dominant state from two controversial spin distributions in the ring to be the Ni(III) LS coupled with an a1u spin-up radical.
URI: http://hdl.handle.net/11455/86360
ISSN: 1364-548X
Appears in Collections:化學系所

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