Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC–CB11X11– (X = H, F, CH3) as Ligands on Pt(II) and Pd(II)

The anionic nitriles 1-R-12-NC–CB11H10– (R = H, CH3, I, COOH), 12-NC-1-H–CB11Me10–, and 12-NC-1-H–CB11F10– were prepared, and three of them were examined for complex formation with (Et3P)2Pt­(II) and (Et3P)2Pd­(II). Several stable internally charge-compensated zwitterionic complexes were obtained and characterized. RI-BP86/SV­(P) calculations suggest that their dipole moments exceed 20 D. An attempt to measure the dipole moments in solution failed due to insufficient solubility in solvents of low polarity.本研究合成了阴离子腈类化合物1-R-12-NC–CB11H10–（R = H、CH3、I、COOH）、12-NC-1-H–CB11Me10–以及12-NC-1-H–CB11F10–，并选取其中三种分别与双(三乙基膦)合铂(II)[(Et3P)2Pt(II)]和双(三乙基膦)合钯(II)[(Et3P)2Pd(II)]进行配位复合实验。研究获得了多种稳定的内部电荷补偿型两性离子复合物（zwitterionic complex）并对其完成表征。经RI-BP86/SV(P)计算，此类复合物的偶极矩均超过20德拜（Debye，缩写D）。因在低极性溶剂中溶解度不足，尝试在溶液中测定其偶极矩的实验未能成功。