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Titolo:
Structure of 1-naphthol/alcohol clusters studied by IR dip spectroscopy and ab initio molecular orbital calculations
Autore:
Saeki, M; Ishiuchi, S; Sakai, M; Fujii, M;
Indirizzi:
Grad Sch Adv Study, Inst Mol Sci, Okazaki, Aichi 444, Japan Grad Sch Adv Study Okazaki Aichi Japan 444 Sci, Okazaki, Aichi 444, Japan
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 44, volume: 105, anno: 2001,
pagine: 10045 - 10053
SICI:
1089-5639(20011108)105:44<10045:SO1CSB>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
STATE PROTON-TRANSFER; DOUBLE-RESONANCE SPECTROSCOPY; HYDROGEN-BONDED CLUSTERS; ACID-BASE REACTIONS; EXCITED-STATE; THRESHOLD SIZE; WATER CLUSTERS; 1-NAPHTHOL-CENTER-DOT(NH3)(N) COMPLEXES; DEPLETION SPECTROSCOPY; INFRARED-SPECTROSCOPY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
64
Recensione:
Indirizzi per estratti:
Indirizzo: Fujii, M Grad Sch Adv Study, Inst Mol Sci, Okazaki, Aichi 444, Japan Grad Sch Adv Study Okazaki Aichi Japan 444 aki, Aichi 444, Japan
Citazione:
M. Saeki et al., "Structure of 1-naphthol/alcohol clusters studied by IR dip spectroscopy and ab initio molecular orbital calculations", J PHYS CH A, 105(44), 2001, pp. 10045-10053

Abstract

The structures of 1-naphthol/alcohol clusters, 1-NpOH(ROH)(n) (n = 1-3; ROH = MeOH, EtOH, and t-BuOH), have been investigated by resonant two-photon ionization (R2PI) spectroscopy and ion-detected IR dip spectroscopy. On thebasis of the calculated spectra obtained by ab initio MO calculations, thespectra of 1-NpOH(MeOH)(n) was analyzed. The analysis elucidated that 1-NpOH(MeOH)(2,3) was a ring structure. From a similarity of the spectral pattern, the structures of 1-NpOH(EtOH)(n) and 1-NpOH(t-BuOH)(n) were also determined to be a ring conformation. From a frequency shift of the hydrogen-bonded OH stretching vibration, the hydrogen bonding is weakened by a steric hindrance due to an alkyl group of ROH. The difference in the solvation mechanism between 1-NpOH(MeOH)(n) and 1-NpOH(H2O)(n) is discussed.

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Documento generato il 20/09/20 alle ore 07:43:45