Structure of the jet-cooled 1-naphthol dimer studied by IR dip spectroscopy: cooperation between the pi-pi interaction and the hydrogen bonding.
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)2 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 pi-pi interaction and structures formed by cooperation between the pi-pi interaction and hydrogen bonding. On the basis of a comparison between the observed and calculated IR spectra, the geometry of (1-NpOH)2 was concluded to be a pi-pi stacking structure supported by hydrogen bonding.
Saeki
Morihisa
M
Quantum Beam Science Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195, Japan.
Ishiuchi
Shun-ichi
S
Sakai
Makoto
M
Fujii
Masaaki
M
D019281:Dimerization; D006860:Hydrogen Bonding; D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods; D008958:Models, Molecular; D015394:Molecular Structure; D009284:Naphthols / Q000737:chemistry*; D012680:Sensitivity and Specificity; D013055:Spectrophotometry, Infrared / Q000295:instrumentation / Q000379:methods
D009284:Naphthols; C029350:1-naphthol