The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study

	The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study
	Li XN ; Wu ZJ ; Zhang HJ ; Si ZJ ; Zhou L ; Liu XJ
刊名	european journal of inorganic chemistry
	2009
期号	27 页码:4052-4061
关键词	DENSITY-FUNCTIONAL THEORY CYCLOMETALATED PLATINUM(II) COMPLEXES EFFECTIVE CORE POTENTIALS EXCITED-STATES PHOTOPHYSICAL PROPERTIES RUTHENIUM(II) COMPLEXES TRANSITION-METAL MOLECULAR CALCULATIONS CIRCULAR-DICHROISM LUMINESCENCE
ISSN号	1434-1948
通讯作者	zhang hj
中文摘要	the quantum yield, lifetime, and absorption spectrum of four [ru(bpy)(2)l](+) [where bpy is 2,2'-bipyridyl; l is represented by the deprotonated form of 2-(1h-tetrazol-5-yl)pyridine (l1) or 2-(1h-tetrazol-5-yl)pyrazine (l2)], as well as their methylated complexes [ru(bpy)(2)lme](2+) (rul1me and rul2me) are closely ligand dependent. in this paper, density functional theory (dft) and time-dependent dft (tddft) were performed to compare the above properties among these complexes. the calculated results reveal that the replacement of pyridine by pyrazine or the attachment of a ch3 group to the tetrazolate ring greatly increases the pi-accepting ability of the ancillary ligands.
收录类别	SCI
语种	英语
WOS记录号	WOS:000270446000004
公开日期	2010-05-04
内容类型	期刊论文
源URL	[http://202.98.16.49/handle/322003/11351]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Li XN,Wu ZJ,Zhang HJ,et al. The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study[J]. european journal of inorganic chemistry,2009(27):4052-4061.
APA	Li XN,Wu ZJ,Zhang HJ,Si ZJ,Zhou L,&Liu XJ.(2009).The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study.european journal of inorganic chemistry(27),4052-4061.
MLA	Li XN,et al."The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study".european journal of inorganic chemistry .27(2009):4052-4061.