Hydrogen Bonding in Aromatic Alcohol-Water Clusters: A Brief Review

摘要: Recent experimental and theoretical advances on the aromatic alcohol-water clusters are reviewed, focusing structure of hydrogen bonding between alcoholic OH group binding water molecules. The interplay observations calculations for elucidation is demonstrated phenol-water, benzyl alcohol-water, substituted naphthol-water tropolone -water clusters. Discussion made assigning role (either proton-donating or -accepting) hydroxyl by measuring shifts infrared frequency stretching mode in cluster from that bare alcohol determination structure. biology, profoundly affecting properties molecule. It well known, example, three dimensional structures protein mostly results constituting amino acids. In aqueous solution, interactions acids with solvent molecules, 3-8 another example bonding, may also play a fundamental reaction protein. Therefore, systematic study bond can reveal invaluable information biochemical activity Since there extremely many molecules solution phase, however, it more useful to 9-23 consisting solute few Hydrogen (OH) molecule(s) organic has been studied intensively as prototypical model complex system. moderate size quantum chemical calculations, allowing comparison molecular beam UV-IR double resonance techniques. Elucidation their conformers lying closely energy give lot molecule phase 24 level. present review we discuss recent understanding alcohol- Experimental measurements structure, energy, 25,26 β-naphthol-water tropolone-water reviewed. nature these analysis vibronic bands observed spectroscopic techniques exemplified. Electrostatic steric effects substitution at phenyl ring phenol-water discussed. described relation strength Phenol-water, phenylpropyl phenol-(H2O)n have most investigators 15-22 system cluster. As depicted Figure 1, phenol- (H2O)n be either -accepting. conformer (P11) calculated lower than proton-accepting one (P12). Experimentally, only proton -donating so far, its measured 5.47(±0.09) kcal/mol. 27 kinetic stability not if latter experimentally, different behavior frequencies complexes P11 P12 (significant red shift slight blue P12; see Table 1) phenol would key observable distinguishing two conformers. 2 presents alcohol-H 2O corre- sponding phenol-H2O 1.