Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/34634
標題: An unexpected bonding interaction between d(xy) and axial cyanide mediated by porphyrin deformation
作者: Cheng, R.J.
陳如珍
Lee, C.H.
Chao, C.W.
關鍵字: c-13 nmr
excited-states
complexes
configurations
approximation
h-1-nmr
energy
heme
ions
期刊/報告no:: Chemical Communications, Issue 18, Page(s) 2526-2528.
摘要: Through density functional calculation and NMR spectroscopy, an unexpected bonding interaction between d(xy) and axial cyanides is revealed to account for the lower shielding of axial cyanide of ruffled [Fe(TRP)(CN)(2)](-) complexes with the contribution of the unusual low-spin electronic structure (d(xz)d(yz))(4)(d(xy))(1).
URI: http://hdl.handle.net/11455/34634
ISSN: 1359-7345
文章連結: http://dx.doi.org/10.1039/b901116a
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