Family of Mn4IIILn2III (LnIII = SmIII, GdIII, DyIII) coordination clusters: Experimental and theoretical investigations

被引：9
|
作者：
Modak, Ritwik [1 ]
Sikdar, Yeasin [1 ]
Bienko, Alina [2 ]
Witwicki, Maciej [2 ]
Jerzykiewicz, Maria [2 ]
Goswami, Sanchita [1 ]
机构：
[1] Univ Calcutta, Dept Chem, 92 APC Rd, Kolkata 700009, India
[2] Univ Wroclaw, Fac Chem, 14 F Joliot Curie, PL-50383 Wroclaw, Poland
来源：
POLYHEDRON | 2016年 / 119卷
关键词：
Manganese; Lanthanides; Topology; Magnetic properties; Density functional calculations; SINGLE-MOLECULE MAGNETS; TRANSITION-METAL-COMPLEXES; CRYSTAL-STRUCTURES; POLYHEDRAL STRUCTURES; LANTHANIDE COMPLEXES; CORRELATION-ENERGY; MANGANESE CLUSTER; NI(4)LN(2) LN; ODD NUMBER; BASIS-SETS;
D O I：
10.1016/j.poly.2016.08.050
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The present work introduces a family of Mn(4)(III)Ln(2)(III) (Ln(III) = Sm-III, Gd-III, Dy-III) coordination clusters having a multisite hydroxyl rich ligand, 3-[(2-hydroxy-3-methoxy-benzylidene)-amino]-propane-1,2-diol (H(3)Vapd), namely [(Mn4Sm2III)-Sm-III(VaPd)(4)(OAc)(6)]center dot 4H(2)O (1), [(Mn4Gd2III)-Gd-III(Vapd)(4)(OAc)(6)]center dot 4H(2)O (2) and [(Mn4DyIII)-Dy-III(VaPd)(4)-(OAc)(6)]center dot 4H(2)O (3). The Se' analog is the first example of a Mn(4)Ln(2) species reported to date. The similarities and differences in terms,of structure, topology and magnetic behaviors within the series are investigated extensively. DFT computations were carried out for (Mn4Gd2III)-Gd-III to address the experimentally challenging questions regarding the nature of the magnetic interactions in this cluster. (C) 2016 Elsevier Ltd. All rights reserved.
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收藏
页码：202 / 215
页数：14
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