Structure of the jet-cooled 1-naphthol dimer studied by IR Dip spectroscopy; Cooperation between the - interaction and the hydrogen bonding

Saeki, Morihisa; Ishiuchi, Shunichi*; Sakai, Makoto*; Fujii, Masaaki*

The structure of a jet-cooled 1-naphthol (1-NpOH) dimer was investigated by using resonant-enhanced two-photon ionization (R2PI) and ion-detected infrared (IR) dip spectroscopy. A geometrical optimization and a frequency calculation in (1-NpOH) were also performed at the MP2/cc-pVDZ level. Stable isomers in the MP2/cc-pVDZ calculation were classified into a structure dominated only by the - interaction and structures formed by cooperation between the - interaction and hydrogen bonding. On the basis of a comparison between the observed and calculated IR spectra, the geometry of (1-NpOH) was concluded to be a - stacking structure supported by hydrogen bonding.