Synthesis and Molecular Structure of (Mes₂C₆H₃)B(Br)N(H)[(i-Pr₂C₆H₃)] and an ab initio Examination of CH₃BBr₂ and CH₃B(Br)NH₂

Article type: Research Article

Authors: Li, Xiao-Wang | Xie, Yaoming | Su, Jianrui | Schaefer III, Henry F. | Robinson, Gregory H.

Affiliations: Department of Chemistry and the Center for Computational Quantum Chemistry, The University of Georgia, Athens, Georgia 30602-2556

Note: [] Corresponding author

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.

DOI: 10.1080/10241229812331341529

Journal: Main Group Chemistry, vol. 2, no. 4, pp. 323-327, 1998