Figure 4
Interactions of homonuclear dimers X2 (or Y2) with water, X2/Y2 and benzene.
(a). Interaction of a single water molecule with N2/tO2/O2/F2. The binding energies Ee are given for both the most stable structure interacting with H of a water molecule and that with O of a water molecule. For the less stable structure between the H and O interaction cases, the water molecule is given with a half-tone color. (b). Interactions of N2 with N2 and F2. (c). Interactions for benzene-X2 (X = N, tO, O, F, Cl). All binding energies Ee are given in kJ/mol at the CCSD(T)/CBS level. Each distance marked in a dotted line is given in Å (in parentheses) for the CCSD(T)/aVTZ optimized geometry (In the case of benzene-X2, only the interacting distance was optimized at the CCSD(T)/aVTZ level using the BSSE-corrected MP2/aVTZ geometry).
