| N-(对位取代苯基)氨基乙酸铜(Ⅱ)配合物中的取代基效应(EHMO) |
| MOLECULAR ORBITAL STUDY ON para SUBSTITUENT EFFECT IN Cu(Ⅱ)-N (para-SUBSTiTUTED PHENYL) GLYCINATES |
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| 摘要: 对配合物Cu(P-R-φG)2(φG=-C6H4NHCH2COO-,R=-Cl,-H,-CH3,-OCH3)进行了EHMO计算。讨论了取代基对配合物分子的电子结构、光谱和稳定性的影响。讨论了稳定化能,相对配位能与配体分子的pK2值之间的关系,计算结果与已有的实验结果是吻合的,体现的规律性也是一致的。 |
| 关键词: 取代基效应 N-(对位取代苯基)氨基乙酸铜(Ⅱ) |
| 基金项目: |
| Abstract: Extended Huckel molecular orbital calculations have been employed for the evaluation of relevant parameters of the coordination compounds Cu(Ⅱ)-N-(para-substituted phenyl) glycinabes, Cu(P-R-φG)2, where φG = -C6H4 NHCH2CO2-, R = -C1,-H,-CH3,-OCH3. The results showed that the effect of substituents is correlated parallally with the inherent properties of the compounds such as electronic structure, visible spectrum, stabilization energy, stability, basicity of the ligands, etc. Calculations verify nicely the experimental findings. |
| Keywords: substitution effect Cu(Ⅱ)-N-(para-substituted phenyl) |
| 投稿时间：1985-08-15 |
| 摘要点击次数: 1730 |
| 全文下载次数: 1664 |
| 孙玉波,赖城明,陈荣悌.N-(对位取代苯基)氨基乙酸铜(Ⅱ)配合物中的取代基效应(EHMO)[J].无机化学学报,1986,2(3):63-72. |
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