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Hamid Golchoubian Zahra Mohseni Afshar Golasa Moayyedi Giuseppe Bruno Hadi Amiri Rudbari 《中国化学》2012,30(8):1873-1880
The syntheses of three mixed ligand chelate copper(II) complexes of the type [Cu(L)(acac)(H2O)]BPh4 where acac=acetyleacetonate; L=N,N‐dimethyl,N′‐benzylethane‐1,2‐diamine ( L1 ), N,N‐dimethyl, N′‐2‐methylbenzylethane‐1,2‐diamine ( L2 ) or N,N‐dimethyl,N′‐2‐chlorobenzylethane‐1,2‐diamine ( L3 ) are reported and characterized by elemental analyses, spectroscopic and molar conductance measurements. The X‐ray structure of complex 1 shows that the central copper atom is placed in a distorted square pyramidal geometry made by acac and diamine chelate in the base and a H2O molecule on the apex. The prepared complexes are fairly soluble in a large number of organic solvents and show positive solvatochromism. Calculations of SMLR (stepwise multiple linear regression) method was utilized to find the best model explaining the observed solvatochromic behavior and showed that among different solvent parameters, donor number (DN) is a dominant factor responsible for the shift in the d‐d absorption band of the complexes to the lower wavenumber with increasing its values. The importance of substituent effect in diamine ligand on the spectral and SMLR measurements is also discussed. 相似文献
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Golchoubian H Moayyedi G Fazilati H 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2012,85(1):25-30
Mixed-chelate copper(II) complexes with a general formula [Cu(acac)(diamine)]X where acac=acetylacetonate ion, diamine=N,N-dimethyl,N'-benzyl-1,2-diaminoethane and X=BPh(4)(-), PF(6)(-), ClO(4)(-) and BF(4)(-) have been prepared. The complexes were characterized on the basis of elemental analysis, molar conductance, UV-vis and IR spectroscopies. The complexes are solvatochromic and their solvatochromism were investigated by visible spectroscopy. All complexes demonstrated the positive solvatochromism and among the complexes [Cu(acac)(diamine)]BPh(4)·H(2)O showed the highest Δν(max) value. To explore the mechanism of interaction between solvent molecules and the complexes, different solvent parameters such as DN, AN, α and β using multiple linear regression (MLR) method were employed. The statistical results suggested that the DN parameter of the solvent plays a dominate contribution to the shift of the d-d absorption band of the complexes. 相似文献
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Macro-acyclic complexes with two dissimilar coordination sites: one includes six coordination set (N4O2) and the other a tetradentate donor set (N2O2) of the type [CoIIILen]ClO4 and [CoIIILtn]ClO4 (where Len = N,N′-bis(pyridine-2-ylmethyl)-N,N′-bis(5-bromo-3-formyl-2-hydroxybenzyl)-1,2-diaminoethane and Ltn = N,N′-bis(pyridine-2-ylmethyl)-N,N′-bis(5-bromo-3-formyl-2-hydroxybenzyl)-1,3-diaminoepropane) have been synthesized and characterized. Characterization result revealed that in the synthetic procedure of [CoIIILen]ClO4 only an isomer (trans-pyridine/cis-phenolate) among three possible geometrical isomers is formed. However, synthesis of its counterpart, [CoIIILtn]ClO4 resulted in the formation of a mixture of geometrical isomers (trans-pyridine/cis-phenolate and cis-pyridine/cis-phenolate). The computational studies of these complexes demonstrated that in [CoIIILtn]+ an equilibrium exists between two possible geometrical isomers as result of a small energy difference (0.72 kcal mol?1), whereas in [CoIIILen]+ the difference is (2.71 kcal mol?1). Furthermore, [ZnIILen] has been studied computationally and experimentally by IR, UV–Vis spectroscopy techniques. The results showed that it has a similar structure to [CoIIILen]+ complex. Electronic spectra of the complexes were analyzed and the absorption bands were assigned through the density functional theory (DFT) and time-dependent density functional theory (TD–DFT) studies procedures. The molecular orbital diagrams of the complexes were also determined. 相似文献
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Solvatochromic mixed-chelate copper(II) complexes, [Cu(Cl-acac)(diamine)]X (where Cl-acac = 3-chloroacetylacetonate ion, diamine = N,N′-dimethyl,N′-benzyl-1,2-diaminoethane and X = B(Ph)4−, PF6−, BF4− and ClO4−), have been prepared. The complexes were characterized on the basis of elemental analysis, molar conductance, UV-Vis and IR spectroscopies. Single crystals of [Cu(Cl-acac)(diamine)(H2O)]PF6, complex 2, were also characterized by X-ray diffraction. The influence of the solvent polarity and counter ions on the νmax values of the d-d bands of the complexes have been investigated by means of visible spectroscopy. All the complexes demonstrated negative solvatochromism. A multi-parametric equation has been utilized to explain the solvent effect on the d-d transition of the complexes using SPSS/PC software. The stepwise multiple linear regression (SMLR) method demonstrated that the donor power of the solvent plays the most important role in the solvatochromism of the compounds. The relative donor power of the anions X was determined by visible spectra in the solvent dichloromethane. 相似文献
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