Abstract: Using the molecular face theory, some features of the molecular faces at the stationary points of four SN2-like reactions and the Dpb values of some bonds along the IRC routes were calculated. Accordingly, using the Matlab software, the three-dimensional molecular faces, i.e., the electronic densities mapped on the molecular intrinsic characteristic contours, were depicted and analyzed. Then, the dynamic changing pictures of the molecular faces for the four SN2-like reactions are vividly shown.

Key words: Molecular face, Molecular intrinsic characteristic contour, Frontier electronic density, Potential acting on an electron within a molecular(PAEM), Dpb of chemical bond