Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms

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	Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms
	X. X. Wu; W. L. Feng; W. Fang; W. C. Zheng
	2007
发表期刊	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN	0932-0784
卷号	62 期号:3-4 页码:218-220
摘要	The EPR g-shift Delta g (approximate to g-ge) of the metal-cyanide cluster [Cr(CN)(6)](3-) is calculated by high-order perturbation formulas based on both the crystal-field (CF) and charge-transfer (CT) mechanisms (the latter is often neglected in the crystal-field theory). The result agrees with the experimental value. The sign of the g-shift Delta g(CT) due to the contribution of the CT mechanism is opposite to that of Delta g(CF) due to the contribution of the CF mechanism, and the absolute value of Delta 8CT is about 34% of that of Delta g(CF). It appears that for transition metal ions in a strong covalent cluster, a reasonable theoretical explanation of the g-shift should take both the CF and CT mechanism into account.
部门归属	civil aviat flying inst china, dept phys, guangzhou 618307, peoples r china. chongqing inst technol, dept appl phys, chongqing 400050, peoples r china. sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, xx (reprint author), civil aviat flying inst china, dept phys, guangzhou 618307, peoples r china;wxxdd@163.com
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Charge-transfer Mechanism Cr3++ [Cr(Cn)(6)](3-) Atomic Screening Constants Hexacyanometalate Complexes Spectroscopic Properties Scf Functions Ligand-field Ab-initio Ions Cr(Cn)(6)(3-)
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33924
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. X. Wu,W. L. Feng,W. Fang,et al. Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2007,62(3-4):218-220.
APA	X. X. Wu,W. L. Feng,W. Fang,&W. C. Zheng.(2007).Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,62(3-4),218-220.
MLA	X. X. Wu,et al."Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 62.3-4(2007):218-220.