Abstract

We report here a series of new adducts incorporating arylguanidines Ar*NC((NPrH)-Pr-i)(2) (Ar* = C6H5, (p-CN-C6H4), (p-CF3-C6H4) and (2,4,6-(CH3)(3)-C6H2)) bearing donor or acceptor substituents in the phenyl rings, and bis-pentafluorophenylborane [HB(C6F5)(2)]. The spectroscopic and structural features of the new compounds [(C6F5)(2)HBNAr*C((NPrH)-Pr-i)(2)] (Ar* = C6H5 1, (2,4,6-(CH3)(3)-C6H2)(2), (p-CN-C6H4)(3) and (p-CF3-C6H4)4) have been studied by multinuclear NMR and X-ray diffraction techniques. The structural differences between 1 and 2-4 compounds have been explained using electronic structure descriptors based on DFT calculations at the B3LYP/6-31 + G(d,p) level in the gas phase.