TY - JOUR
T1 - LIF and IR dip spectra of jet-cooled p-aminophenol-M (M = CO, N2)
T2 - Hydrogen-bonded or van der waals-bonded structure?
AU - Mori, Hirotoshi
AU - Kugisaki, Hitomi
AU - Inokuchi, Yoshiya
AU - Nishi, Nobuyuki
AU - Miyoshi, Eisaku
AU - Sakota, Kenji
AU - Ohashi, Kazuhiko
AU - Sekiya, Hiroshi
PY - 2002/5/16
Y1 - 2002/5/16
N2 - Intermolecular interaction and stable structures of the p-aminophenol-M (M=CO, N2) 1:1 complexes have been studied by measuring the S1 ← S0 (ππ*) fluorescence excitation spectra and the IR dip spectra in the OH and NH stretch region combined with ab initio calculations. The S1-S0 electronic origin of the CO complex is 141 cm-1 red shifted from the origin of the monomer. The red shift for the CO complex is smaller than 153 cm-1 for the N2 complex, although the molecular polarizability of carbon monoxide is larger than that of molecular nitrogen. The OH stretching frequency of the CO complex is 26 cm-1 red shifted from that of the monomer in the IR dip spectrum, but the N2 complex shows no shift. On the basis of these findings we concluded that carbon monoxide is bonded to the OH group via a hydrogen bond, whereas nitrogen is van der Waals-bonded to the π cloud of the aromatic ring.
AB - Intermolecular interaction and stable structures of the p-aminophenol-M (M=CO, N2) 1:1 complexes have been studied by measuring the S1 ← S0 (ππ*) fluorescence excitation spectra and the IR dip spectra in the OH and NH stretch region combined with ab initio calculations. The S1-S0 electronic origin of the CO complex is 141 cm-1 red shifted from the origin of the monomer. The red shift for the CO complex is smaller than 153 cm-1 for the N2 complex, although the molecular polarizability of carbon monoxide is larger than that of molecular nitrogen. The OH stretching frequency of the CO complex is 26 cm-1 red shifted from that of the monomer in the IR dip spectrum, but the N2 complex shows no shift. On the basis of these findings we concluded that carbon monoxide is bonded to the OH group via a hydrogen bond, whereas nitrogen is van der Waals-bonded to the π cloud of the aromatic ring.
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U2 - 10.1021/jp014594j
DO - 10.1021/jp014594j
M3 - Article
AN - SCOPUS:0037118375
VL - 106
SP - 4886
EP - 4890
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 19
ER -