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|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
Chen, Peter P-Y
|關鍵字:||Carbon Isotopes;Cations;Free Radicals;Magnetic Resonance Spectroscopy;Metalloporphyrins;Models, Molecular;Nickel;Protons;Quantum Theory||Project:||Chemical communications (Cambridge, England), Volume 50, Issue 91, Page(s) 14265-8.||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.
|Appears in Collections:||化學系所|
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