Cj. Gruenloh et al., INFRARED-SPECTRUM OF A MOLECULAR ICE CUBE - THE S-4 AND D-2D WATER OCTAMERS IN BENZENE-(WATER)(8), Science, 276(5319), 1997, pp. 1678-1681
Resonant two-photon ionization, ultraviolet hole-burning, and resonant
ion-dip infrared (RIDIR) spectroscopy were used to assign and charact
erize the hydrogen-bonding topology of two conformers of the benzene-(
water)(8) cluster. In both clusters, the eight water molecules form a
hydrogen-bonded cube to which benzene is surface-attached. Comparison
of the RIDIR spectra with density functional theory calculations is us
ed to assign the two (water), structures in benzene-(water)(8) as cubi
c octamers of D-2d and S-4 symmetry, which differ in the configuration
of the hydrogen bonds within the cube. OH stretch vibrational fundame
ntals near 3550 wave numbers provide unique spectral signatures for th
ese ''molecular ice cubes.''