Hydroboration of Substituted Cyclopropane: A Density Functional Theory Study
Table 1
(a) B3LYP/6-31G** optimized structural parameters (units in Å for bond length) for the –F substituted cyclopropanes, intermediate complexes (LM-CX), “loose” transition structures (TS), and products (LM) along the plane of cyclopropane ring. (b) B3LYP/6-31G** optimized structural parameters (units in Å for bond length and in degree for angle) for the “tight” transition structures (TS) and products (LM) along the plane of cyclopropane ring.
