μ-Phenoxo-μ-pseudohalide and μ-pseudohalide dinuclear, tetranuclear and one-dimensional complexes: magneto-structural correlation and interesting type of solid state isomerism
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- 作者：SUJIT SASMAL (1)
SASANKASEKHAR MOHANTA (1) - 关键词：Metallo ; pseudohalides ; magneto ; structural correlations ; DFT ; heterobridged
- 刊名：Journal of Chemical Sciences
- 出版年：2012
- 出版时间：November 2012
- 年：2012
- 卷：124
- 期：6
- 页码：1353-1364
- 全文大小：817KB
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29. Figures 1 and 3 in this article are redrawn in comparison to the figures 1 and 3 in ref. 24. Copyright Wiley- VCH Verlag GmbH & Co. KGaA. Reproduced with permission.
30. Figures 2 and 7 in this article are redrawn in comparison to the figures 1 and 12 in ref. 26. Figures 4, 5 and 6 and table 1 in this article are adapted after slight redrawing/ modification of the figures 3, 10 and 11 and table 3 in ref. 26. Copyright American Chemical Society. Reprinted (adapted) with permission.
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32. The Noodleman’s BS approach; B3LYP exchange–correlation functional; valence triple-zeta quality basis sets (TZV) of Ahlrichs and coworkers; GAUSSIAN 03 suite of programs with an initial guess made using Jaguar 7.0
33. Figures 8 and 9 in this article are redrawn in comparison to the figures 1 and 2 in ref. 27. Figures 10 and 11 in this article are adapted after slight redrawing/modification of the figures 3 and 4 in ref. 27. Copyright American Chemical Society. Reprinted (adapted) with permission.
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35. A part of figure 12 (for compound 8) and figure 14 in this article are redrawn in comparison to the figures 2 and S9 in ref. 28. Figure 13 in this article is adapted after slight redrawing/modification of the figure 4 in ref. 28. Copyright American Chemical Society. Reprinted (adapted) with permission. Another part of figure 12 (for compound VIIIA) is drawn taking CIF from the Cambridge Structural Database (Version 5.32, 2011), the Cambridge Crystallographic Data Centre.
36. B3LYP exchange–correlation functional; basis set of triple- / ζ quality as proposed by Schaefer / et al; Gaussian09 code using guess functions generated with the Jaguar 7.0 code
37. Baker G A, Rushbrooke G S and Guilbert H E 1964 / Phys. Rev. 135 A1272 - 作者单位：SUJIT SASMAL (1)
SASANKASEKHAR MOHANTA (1)
1. Department of Chemistry, University of Calcutta, 92, A?P?C Road, Kolkata, 700 009, India - ISSN：0973-7103
文摘
Five Schiff base ligands have been utilized to explore metallo-pseudohalide (azide or cyanate) systems. These ligands are the 1:1 condensation products of 3-methoxysalicylaldehyde with ethanolamine (H2L1)/1-(2-aminoethyl)-piperidine (HL2)/ 4-(2-aminoethyl)-morpholine (HL3) or salicylaldehyde with 1-(2-aminoethyl)-piperidine (HL4)/4-(2-aminoethyl)-morpholine (HL5). The derived complexes are as follows: Four heterobridged μ-phenoxo-μ1,1-azide/cyanate dinickel(II) compounds of composition [Ni $^{\rm II}_{2}$ (HL $^{1})_{3}(\mu_{1,1}$ -N3)]·3H2O (1), [Ni $^{\rm II}_{2}$ (L $^{2})_{2}(\mu _{1,1}$ -N3)(N3)(H2O)]·CH3CH2OH (2), [Ni $^{\rm II}_{2}$ (L $^{3})_{2}$ ?(μ1,1-N3)(CH3CN)(H2O)](ClO4)·H2O·CH3CN (3) and [Ni $^{\rm II}_{2}$ (HL $^{1})_{3}(\mu _{1,1}$ -NCO)]·2H2O (4); Two μ1,3-azide bridged tetranickel(II) compounds [{NiII(L $^{4})(\mu _{1,3}$ -N3)(H2O)}4] (5) and [{NiII(L $^{5})(\mu _{1,3}$ -N3)(H2O)}4] (6); Two μ1,3-azide/cyanate one-dimensional compounds [CuIIL $^{5}(\mu _{1,3}$ -NCO)] n ·2nH2O (7) and [CuIIL $^{5}(\mu _{1,3}$ -N3)] n · 2nH2O (8). Except compound 5 which shows overall antiferromagnetic coupling, other compounds exhibit overall ferromagnetic interaction. Syntheses, crystal structures, magnetic properties, density functional theoretical (DFT) calculations and experimental/theoretical magneto-structural correlations have been carried out which have revealed some interesting observations on composition/topology, magneto-structural correlations and solid state isomerism. The results have been already published. The present report deals with a review of the salient and interesting features of these works. Graphical Abstract This article reviews some recent studies on metallo-pseudohalide compounds, only pseudohalide bridged or heterobridged μ-phenoxo-μ1,1-azide/cyanate complexes, and focuses on the following features: (i) unprecedented type of structures; (ii) unique bridge distance dependency of exchange integral; (iii) experimental and density functional theoretical magneto-structural correlations; (iv) interesting magnetic, crystallographic and supramolecular isomerisms.