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)

Abstract

The anionic nitriles 1-R-12-NC-CB11H10- (R = H, CH3, I, COOH), 12-NC-1-H-CB11/Me-10(-), and 12-NC-1-H-CB11F10- were prepared, and three of them were examined for complex formation with (Et3P)(2)Pt(II) and (Et3P)(2)Pd(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.

Keywords

• weakly coordinating anions
• molecular rotors
• radical polymerization
• substitution symmetry
• surface inclusion
• cuprous cyanide
• boron cluster
• aryl halides
• catalysis