Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/34640
標題: An anomalous spin-polarization mechanism in high-spin manganese(III) porphyrin complexes
作者: Cheng, R.J.
陳如珍
Chang, S.H.
Hung, K.C.
關鍵字: nmr-spectroscopy;distributions;state;c-13
Project: Inorganic Chemistry
期刊/報告no:: Inorganic Chemistry, Volume 46, Issue 6, Page(s) 1948-1950.
摘要: 
Confluence of NMR for paramagnetic molecules and the complementary density functional theory calculations reveals an anomalous spin-polarization mechanism that is maximized in high-spin d(4) complexes. It is critical to realize this mechanism to correctly rationalize the spin-density distribution around the porphyrin macrocycle.
URI: http://hdl.handle.net/11455/34640
ISSN: 0020-1669
DOI: 10.1021/ic0617238
Appears in Collections:化學系所

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