CAJ | 학술논문

合成并表征了一种离子对配合物1,[Cl2Bz-1-Apy]2[Ni(mnt2)],其中,Cl2Bz-1-Apy为(E)-1-(3,4-氯苯亚甲基氨基)吡啶-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.DFF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.
합성병표정료일충리자대배합물1,[Cl2Bz-1-Apy]2[Ni(mnt2)],기중,Cl2Bz-1-Apy위(E)-1-(3,4-록분아갑기안기)필정-개양리자,mnt시마래이정기이류희이개음리자.재배합물1적정체중,음리자화양리자중필정배지간존재음리자…π상호작용.DFF전하밀도분포분석표명,음리자…π상호작용주요원자리자대간적Coulomb흡인력.재고체화을정용액전자흡수광보근홍외구,배합물1도유일개관적약흡수대,해흡수대가귀속위이개음리자[Ni(mnt)2]2내적d-d전자약천화음양리자대간적전하전이약천.
An ion-pair complex, [C12Bz-1-Apy]2 [Ni (mnt)2] (C12Bz-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.