Theoretical study of excited states properties of Au(I) complexes with alkynyl

	Theoretical study of excited states properties of Au(I) complexes with alkynyl
	Jiao Y. Q.; Sun Q.; Fan D.
	2006
发表期刊	Acta Physico-Chimica Sinica
ISSN	1000-6818
卷号	22 期号:10 页码:1196-1200
摘要	The structures of the Au (I) complexes were fully optimized by using the MP2 method for the ground states and the CIS method for the excited states. In the ground states, it is clear that the molecule distances show a tendency of shortening towards middle; the modification effect of Au (1) weakens the bonding inside the ligand; with the lengthening of molecules, the bonding between the metal and ligand is weakened. In the excited states, the bonding effect between metal and ligand is weakened because of the electron transitions, which becomes clear with the lengthening of molecules. The results showed that the fluorescences of the Au(I) complexes have an inimitable nature, and the -AuPH3 has more ionic nature than -H.
收录类别	SCI
语种	中文
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/34074
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Jiao Y. Q.,Sun Q.,Fan D.. Theoretical study of excited states properties of Au(I) complexes with alkynyl[J]. Acta Physico-Chimica Sinica,2006,22(10):1196-1200.
APA	Jiao Y. Q.,Sun Q.,&Fan D..(2006).Theoretical study of excited states properties of Au(I) complexes with alkynyl.Acta Physico-Chimica Sinica,22(10),1196-1200.
MLA	Jiao Y. Q.,et al."Theoretical study of excited states properties of Au(I) complexes with alkynyl".Acta Physico-Chimica Sinica 22.10(2006):1196-1200.