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
	Wu, Xiao-Xuan ; Feng, Wen-Ling ; Fang, Wang ; Zheng, Wen-Chen
刊名	ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
	2007-03-01
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-)
ISSN号	0932-0784
通讯作者	Wu, Xiao-Xuan(wxxdd@163.com)
英文摘要	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.
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	VERLAG Z NATURFORSCH
WOS记录号	WOS:000246760500016
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/92462]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wu, Xiao-Xuan
作者单位	1.Civil Aviat Flying Inst China, Dept Phys, Guangzhou 618307, Peoples R China 2.Chongqing Inst Technol, Dept Appl Phys, Chongqing 400050, Peoples R China 3.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Wu, Xiao-Xuan,Feng, Wen-Ling,Fang, Wang,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	Wu, Xiao-Xuan,Feng, Wen-Ling,Fang, Wang,&Zheng, Wen-Chen.(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	Wu, Xiao-Xuan,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.