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
刊名	Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
	2007
卷号	62 期号:3-4 页码:218-220
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-)
ISSN号	0932-0784
中文摘要	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.
原文出处	://WOS:000246760500016
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/33924]
专题	金属研究所_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.