Synthesis and Molecular Structure of (Mes 2 C 6 H 3 )B(Br)N(H)[(i-Pr 2 C 6 H 3 )] and an ab initio Examination of CH 3 BBr 2 and CH 3 B(Br)NH 2

Abstract

Reaction of (2,6-dimesitylphenyl)boron dibromide, (Mes₂C₆H₃)BBr₂. I, with [2,6-di-i-propylphenyl)amino]lithium, [(i-Pr₂C₆H₃)N(H)Li, affords 2,6-dimestylphenyl[(2,6-di-i-propylphenyl)amino]boron bromide, (Mes₂C₆H₃)B(Br)N(H)[(i-Pr₂C₆H₃)], II. II has been characterized by elemental analyses, ¹H and ¹³C NMR, and single crystal X-ray diffraction. ab initio examination of model molecules CH₃BBr₂, III, and CH₃B(Br)NH₂, IV, supports a measure of π-bonding in the B—Br and B—N bonds in III and IV.