Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand

	Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand
	Bi YF ; Liao WP ; Xu GC ; Deng RP ; Wang MY ; Wu ZJ ; Gao S ; Zhang HJ
刊名	inorganic chemistry
	2010
卷号	49 期号:17 页码:7735-7740
关键词	HUISGEN 1 3-DIPOLAR CYCLOADDITION CLICK CHEMISTRY APPROACH MAGNETIC-PROPERTIES COORDINATION POLYMERS TRANSITION-METAL THIACALIXARENES TETRANUCLEAR TETRAZOLES COMPLEXES CLUSTER
ISSN号	0020-1669
通讯作者	liao wp
中文摘要	three p-tert-butylthiacalix[4]arene (h(4)tc4a)-supported co-ii compounds, [co-4(tc4a)(n-3)(4)(n6h2)(ch3oh)](ch3oh)(2) (1), [co-8(tc4a)(2)(n-3)(2)(n6h2)(2)(ch3coo)(4)(ch3oh)(4)](oh)(2)(ch3oh)(4) (2), and [co-10(tc(4)a)(4)(n-3)(4)](ch3oh)(4) (3), have been solvothermally obtained in one pot and structurally characterized by single-crystal x-ray diffraction analyses, powder xrd, and ir spectroscopy. this work presents the first one-dimensional (1) cobalt cluster for the calixarene complexes and another two octanuclear (2) or decanuclear (3) cobalt clusters. in the structures of compounds 1 and 2, a novel n6h2 ligand formed by the in situ (2 + 3) cycloaddition of two azides was observed. density functional theory (dft) calculations give the heat of formation (2n(3)(-) + 2h(+) -> n6h2) and decomposition energy (n6n2 -> 3n(2) + h-2) of 677.47 and 124.85 kcavmol, respectively. furthermore, an intergradation was determined at the b3lyp/6-311++g(d,p) level for the formation of the n6h2 ligand. in addition, one tc4a ligand of a sandwich unit adopts a cone conformation, while the other adopts a pinched cone conformation in 3. the magnetic properties of these three compounds were influenced mainly by the orbital contributions of the distorted octahedral co-ii ions.
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000281231800025
公开日期	2012-04-26
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/43502]
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	Bi YF,Liao WP,Xu GC,et al. Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand[J]. inorganic chemistry,2010,49(17):7735-7740.
APA	Bi YF.,Liao WP.,Xu GC.,Deng RP.,Wang MY.,...&Zhang HJ.(2010).Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand.inorganic chemistry,49(17),7735-7740.
MLA	Bi YF,et al."Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand".inorganic chemistry 49.17(2010):7735-7740.