Abstract
Infrared spectroscopy was applied to phenol-CO and phenol-CO2 clusters in a molecular beam, and the OH stretching vibrations of these clusters were observed both in their neutral (S0) and in their cationic (D0) ground states. Their OH frequency in So shows a small but definite low-frequency shift, indicating that the phenol moiety acts as a proton donor in their hydrogen-bonded structures. The magnitude of the frequency shifts well correlates with proton affinities of the proton-accepting CO and CO2 molecules. The OH stretching vibrations in Do showed a substantial low-frequency shift, representing that the hydrogen-bond strength is remarkably enhanced upon ionization. Density functional theoretical calculations of the cluster structures were carried out to support discussion.
Original language | English |
---|---|
Pages (from-to) | 10124-10129 |
Number of pages | 6 |
Journal | Journal of Physical Chemistry A |
Volume | 106 |
Issue number | 43 |
DOIs | |
Publication status | Published - 2002 Oct 31 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry