STRETCHING FREQUENCY VERSUS BOND DISTANCE CORRELATION OF O-D(H)...F HYDROGEN-BONDS IN SOLID HYDRATES

Uncoupled nuBAR(OD) frequencies of isotopically dilute HDO molecules ( from 75 K IR measurements) are reported for 30 O-H(D)...F type hydroge n bonds in 16 solid hydrates along with a compilation of corresponding hydrogen bond distances and angles (from room temperature X-ray struc ture determinations). The frequencies range from 2197 to 2579 cm-1, an d the corresponding R(O...F) distances from 2.51 to 2.86 angstrom. Fre quency-distance correlations, nuBAR(OD) versus R(O...F) and nuBAR(OD) versus R(H...F), and corresponding correlation curves calculated to th e experimental points are shown. They are compared with the correspond ing correlations of other kinds of O...Y hydrogen bonds (Y = O, S, Cl) considering scatters of points as well as shapes and locations of the correlation curves.