Non-covalent interactions in term of hydrogen bond in complexes of chloroform with hydrogen cyanide and its fluoride derivative were investigated thoroughly by scanning the potential energy surface. The complexes of both examined systems show blue-shift at their most stable geometries. All of systems experience the contraction in C-H bond length at long distances. At specific RN-H distance, the C-H bond of CHCl3 molecule in complexes with FCN tends to be more blue-shifted than one in connection with HCN counterpart. |
