A new Schiff base derived from tyrosine and salicylidene and its copper(Ⅱ ) complex have been synthesized and characterized by elemental analyses,molar conductances,thermal analyses,infrared spectra,electronic spectr...A new Schiff base derived from tyrosine and salicylidene and its copper(Ⅱ ) complex have been synthesized and characterized by elemental analyses,molar conductances,thermal analyses,infrared spectra,electronic spectra and EPR spectra.The composition of the complex is K[CuL(Ac)]· H2O, where L=H13C16NO4. EPR spectra of the copper(Ⅱ ) complex were investigated in various solvents at different temperatures.It is found that the linewidth of four hyperfine lines on solution spectra at room temperature is unequal and changes with mⅠ ,this could be satisfactorily explained by the relaxation effect.The relaxation time and the relaxation rate were calculated.By using spectral parameters from solution spectra at low temperature,the bonding parameters of Cu(Ⅱ ) complex were calculated.The bonding characterization and stability of the complex were disscussed.The results show that the in-planeσ-bond and the in-planeπ-bond in the complex all play an important role.展开更多
A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field sp...A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting （ZFS） parameter D and local distortion parameter △θ for Cr^3＋ ions doped,separately,in α- and β- alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed.展开更多
文摘A new Schiff base derived from tyrosine and salicylidene and its copper(Ⅱ ) complex have been synthesized and characterized by elemental analyses,molar conductances,thermal analyses,infrared spectra,electronic spectra and EPR spectra.The composition of the complex is K[CuL(Ac)]· H2O, where L=H13C16NO4. EPR spectra of the copper(Ⅱ ) complex were investigated in various solvents at different temperatures.It is found that the linewidth of four hyperfine lines on solution spectra at room temperature is unequal and changes with mⅠ ,this could be satisfactorily explained by the relaxation effect.The relaxation time and the relaxation rate were calculated.By using spectral parameters from solution spectra at low temperature,the bonding parameters of Cu(Ⅱ ) complex were calculated.The bonding characterization and stability of the complex were disscussed.The results show that the in-planeσ-bond and the in-planeπ-bond in the complex all play an important role.
基金Project supported by the National Natural Science Foundation of China (Grant No 10774103)the Doctoral Education Fund of Education Ministry of China (Grant No 20050610011)
文摘A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting （ZFS） parameter D and local distortion parameter △θ for Cr^3＋ ions doped,separately,in α- and β- alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed.
