溶剂对啉及其配合物电子吸收光谱影响的光谱研究

M. Masoud, A. Ali, G. S. Elasala, Rehab E. Elwardany
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引用次数: 0

摘要

研究了啉及其五种啉配合物在不同极性溶剂中的电子吸收光谱。用SPSS软件计算回归系数和相关系数。根据光谱位移推导出溶剂化能关系,并与溶剂参数α(溶剂氢键供体酸度)、β(溶剂氢键受体碱度)和π*(双极性/极化率)相关。计算的溶剂化变色参数的百分比贡献表明,经典溶剂化效应在解释所有研究配合物的光谱位移中起主要作用。[Fe(MOR)3Cl3]·4H2O、[Ni(MOR)4Cl2]·4H2O和[Cu(MOR)4Cl2]·6H2O配合物的蓝移是由于氢键的形成,表明基态比激发态更稳定。[CuNi(MOR)2Cl4]·4H2O和[CuZn(MOR)3Cl4]·2H2O是由于溶质-溶剂相互作用而发生红移的混合金属配合物,随着溶剂极性的增加,激发态溶质稳定。谱带受氢键施主能力(酸性)和氢键受体能力(碱性)等特定溶质-溶剂相互作用以及溶质和极性溶剂偶极矩之间的电磁相互作用等非特异性溶质-溶剂相互作用的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes
The electronic absorption spectra of morpholine and its five morpholine complexes have been studied in different solvents of various polarities. The regression and correlation coefficients have been calculated with the SPSS program. Solvation energy relationships were deduced from spectral shifts and correlated with solvent parameters α (solvent hydrogen bond donor acidity), β (solvent hydrogen bond acceptor basicity), and π* (dipolarity/polarizability). The percentage contributions of the calculated solvatochromic parameters show that classic solvation effects play a major role in explaining the spectral shifts in all investigated complexes. The blue shift of [Fe(MOR)3Cl3]·4H2O, [Ni(MOR)4Cl2]·4H2O, and [Cu(MOR)4Cl2]·6H2O complexes is due to the formation of hydrogen bonds, which suggests the stabilization of the ground electronic state compared with the excited state. [CuNi(MOR)2Cl4]·4H2O and [CuZn(MOR)3Cl4]·2H2O are mixed metal complexes that suffer a red shift due to the solute-solvent interactions, which causes stabilization of the excited solute state with increasing solvent polarity. The bands are affected by specific solute-solvent interactions including hydrogen bond donor ability (acidity) and hydrogen bond acceptor ability (basicity) and nonspecific solute-solvent interactions including electromagnetic interaction between the dipole moments of solute and polar solvents.
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