Three-dimensional lanthanide(III)-copper(II) compounds based on an unsymmetrical 2-pyridylphosphonate ligand: An experimental and theoretical study

	Three-dimensional lanthanide(III)-copper(II) compounds based on an unsymmetrical 2-pyridylphosphonate ligand: An experimental and theoretical study
	Y. S. Ma ; H. Li ; J. J. Wang ; S. S. Bao ; R. Cao ; Y. Z. Li ; J. Ma ; L. M. Zheng
刊名	Chemistry-a European Journal
	2007
卷号	13 期号:17 页码:4759-4769
关键词	copper N hydrothermal synthesis O lanthanides magnetic properties ligands single-molecule magnet universal force-field lamellar lanthanide phosphonates initio structure determination srsi2 topological type frameworks mil-n ii/gd-iii couple electrostatic potentials hydrothermal synthesis coordination polymers
ISSN号	0947-6539
中文摘要	Based on an unsymmetrical 2-pyridylphosphonate ligand, two types of Ln(III)-Cu-II compounds with three-dimensional structures were obtained under hydrothermal conditions, namely, Ln(2)Cu(3)(C5H4NPO3)(6)center dot 4H(2)O (1 center dot Ln: Ln = La, Ce, Pr, Nd) and Ln(2)Cu(3)(C5H4NPO3)(6) (2-Ln; Ln = Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho). Compounds 1.Ln are isostructural and crystallize in chiral cubic space group I2(1)3. In these structures, each Ln ion is nine-coordinate and has a tricapped triprismatic geometry, while each Cu center is six-coordinate with an octahedral environment. The {LnO(9)} polyhedra and {CuN2O4} octahedra are connected by edge sharing to form an inorganic open framework structure with a 3-connected 10-gon (10,3) topology in which the Ln and Cu atoms are alternately linked by the phosphonate oxygen atoms. Compounds 2-Ln are isostructural and crystallize in trigonal space group R(3) over bar. In these structures, the {LnO(6)} octahedra are triply bridged by the {CPO3} tetrahedra by corner sharing to form an infinite chain along the c axis. Each chain is connected to its six equivalents through corner sharing of {CPO3} tetrahedra and {CuN2O2} planes to form a three-dimensional framework structure in which the Ln and Cu atoms are linked purely by O-P-O units. The formation of these two types of structures is rationalized by quantum chemical calculations, which showed that both the lanthanide contraction and the electron configuration of Cu-II play important roles. When Cu-II was replaced by Zn-II, only the first type of compounds resulted. The magnetic properties of complexes 1.Ln and 2.Ln were investigated. The nature of Ln(III)-Cu-II (Ln = Ce, Pr, Nd) interactions is illustrated by comparison with their Ln(III)-Zn-II analogues.
语种	英语
公开日期	2013-04-01
内容类型	期刊论文
源URL	[http://ir.fjirsm.ac.cn/handle/350002/6528]
专题	福建物质结构研究所_中科院福建物质结构研究所_期刊论文
推荐引用方式 GB/T 7714	Y. S. Ma,H. Li,J. J. Wang,et al. Three-dimensional lanthanide(III)-copper(II) compounds based on an unsymmetrical 2-pyridylphosphonate ligand: An experimental and theoretical study[J]. Chemistry-a European Journal,2007,13(17):4759-4769.
APA	Y. S. Ma.,H. Li.,J. J. Wang.,S. S. Bao.,R. Cao.,...&L. M. Zheng.(2007).Three-dimensional lanthanide(III)-copper(II) compounds based on an unsymmetrical 2-pyridylphosphonate ligand: An experimental and theoretical study.Chemistry-a European Journal,13(17),4759-4769.
MLA	Y. S. Ma,et al."Three-dimensional lanthanide(III)-copper(II) compounds based on an unsymmetrical 2-pyridylphosphonate ligand: An experimental and theoretical study".Chemistry-a European Journal 13.17(2007):4759-4769.