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| Hydrothermal Processing,Characterization and Theoretical Calculations of a Copper（Ⅱ） Compound with 1,10-Phenanthroline Derivative Ligand：2-（4-Methoxyphenyl）-1H-imidazo[4,5-f][1,10] Phenanthroline | |
| 作者姓名： | HUANG Yan-Ju NI Liang ZHU Yan-Yu YAO Jia |
| 作者单位： | [1]School of Chemistry and Chemical Engineering,Jiangsu University,Zhenjiang 212013,China [2]Department of Chemistry,Tonghua Teachers College,Tonghua 134002,China [3]Department of Chemistry,Zhejiang University,Hangzhou 310027,China |
| 基金项目： | Supported by grants from Graduate Innovation Project of Jiangsu Province （No. CX10B_266Z） |
| 摘 要： | The metal-organic compound Cu(MOPIP)2(OH)2] 1(MOPIP = 2-(4-methoxy-phenyl)-1H-imidazo4,5-f]1,10] phenanthroline) was hydrothermally synthesized and structurally characterized by elemental analysis,Fourier-transformed infrared spectroscopy,thermogravimetric analysis,single-crystal X-ray diffraction and theoretical calculations in Gaussian 03.In the crystal structure,the copper(Cu) atoms are tetra-coordinated with four different nitrogen atoms from two different MOPIP ligands,and the Cu atom is one of the five vertexes of the tetrahedron.Presumably due to the steric bulk of the phenyl ligands,compound 1 adopts a slightly distorted tetrahedral configuration.Moreover,it exhibits a zero-dimensional structure with Cu-MOPIP as the building units.Natural Bond Orbital(NBO) analysis was performed by using the NBO method built in Gaussian 03 Program.The calculation results showed a covalent interaction between the coordinated atoms and Cu(Ⅱ) ion. |
| 关 键 词： | crystal structure hydrothermal crystal growth compounds natural bond orbital |
Hydrothermal Processing,Characterization and Theoretical Calculations of a Copper（Ⅱ） Compound with 1,10-Phenanthroline Derivative Ligand：2-（4-Methoxyphenyl）-1H-imidazo[4,5-f][1,10] Phenanthroline |
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| HUANG Yan-Ju,NI Liang,ZHU Yan-Yu,YAO Jia.Hydrothermal Processing,Characterization and Theoretical Calculations of a Copper（Ⅱ） Compound with 1,10-Phenanthroline Derivative Ligand：2-（4-Methoxyphenyl）-1H-imidazo[4,5-f][1,10] Phenanthroline[J].Chinese Journal of Structural Chemistry,2012,31(3):353-360. | |
| Authors: | HUANG Yan-Jua b NI Lianga ZHU Yan-Yub YAO Jia |
| Institution: | 1. School of Chemistry and Chemical Engineering,Jiangsu University,Zhenjiang 212013,China／Department of Chemistry,Tonghua Teachers College,Tonghua 134002,China 2. School of Chemistry and Chemical Engineering,Jiangsu University,Zhenjiang 212013,China 3. Department of Chemistry,Tonghua Teachers College,Tonghua 134002,China 4. Department of Chemistry,Zhejiang University,Hangzhou 310027,China |
| Abstract: | The metal-organic compound Cu(MOPIP)2(OH)2] 1(MOPIP = 2-(4-methoxy-phenyl)-1H-imidazo4,5-f]1,10] phenanthroline) was hydrothermally synthesized and structurally characterized by elemental analysis,Fourier-transformed infrared spectroscopy,thermogravimetric analysis,single-crystal X-ray diffraction and theoretical calculations in Gaussian 03.In the crystal structure,the copper(Cu) atoms are tetra-coordinated with four different nitrogen atoms from two different MOPIP ligands,and the Cu atom is one of the five vertexes of the tetrahedron.Presumably due to the steric bulk of the phenyl ligands,compound 1 adopts a slightly distorted tetrahedral configuration.Moreover,it exhibits a zero-dimensional structure with Cu-MOPIP as the building units.Natural Bond Orbital(NBO) analysis was performed by using the NBO method built in Gaussian 03 Program.The calculation results showed a covalent interaction between the coordinated atoms and Cu(Ⅱ) ion. |
| Keywords: | crystal structure hydrothermal crystal growth compounds natural bond orbital |
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