| 离子对间电荷转移配合物：阴离子…π作用及近红外吸收(英文) |
| Observation of Anion…π Interaction and Near IR Absorption in an Ion-Pair Charge Transfer Complex |
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| 摘要: 合成并表征了一种离子对配合物1，[Cl2Bz-1-Apy]2[Ni(mnt)2]，其中，Cl2Bz-1-Apy为(E)-1-(3，4-二氯苯亚甲基氨基)吡啶一价阳离子，mnt是马来二睛基二硫烯二价阴离子。在配合物1的晶体中，阴离子和阳离子中吡啶环之间存在阴离子…π相互作用。DFT电荷密度分布分析表明，阴离子…π相互作用主要源自离子对间的Coulomb吸引力。在固体和乙腈溶液电子吸收光谱近红外区，配合物1都有一个宽的弱吸收带，该吸收带可归属为二价阴离子[Ni(mnt)2]2-内的d-d电子跃迁和阴阳离子对间的电荷转移跃迁。 |
| 关键词: 离子对 阴离子…π相互作用 电荷转移 晶体结构 DFT计算 |
| 基金项目: |
| Abstract: An ion-pair complex, [Cl2Bz-1-Apy]2[Ni(mnt)2] (Cl2Bz-1-Apy+=(E)-1-(3,4-di-chlorobenzylideneamino)pyridinium and mnt2-=maleonitriledithiolate), was synthesized and characterized. The anion…π interaction is observed. Based on the DFT analysis, the intermolecular interaction can be attributed to Coulomb interaction. The UV-Vis-NIR spectra of the ion-pair complex in solid state and acetonitrile solution exhibit a weak absorption band in the near IR region, which might originate from the d-d transition in [Ni(mnt)2]2- dianion or IPCT (ion-pair charge transfer) transition between the cation and anion. CCDC: 692922. |
| Keywords: ion-pair anion…π interaction charge transfer crystal structure DFT calculation |
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| 刘建兰,姚丙乾,任小明,沈临江,孟庆金.离子对间电荷转移配合物：阴离子…π作用及近红外吸收(英文)[J].无机化学学报,2009,25(1):87-91. |
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