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Titolo:
Structure and dynamics of 9(10H)-acridone and its hydrated clusters. II. Structural characterization of hydrogen-bonding networks
Autore:
Mitsui, M; Ohshima, Y; Ishiuchi, S; Sakai, M; Fujii, M;
Indirizzi:
Kyoto Univ, Grad Sch Sci, Dept Chem, Sakyo Ku, Kyoto 6068502, Japan Kyoto Univ Kyoto Japan 6068502 Dept Chem, Sakyo Ku, Kyoto 6068502, Japan Inst Mol Sci, Okazaki, Aichi 4448585, Japan Inst Mol Sci Okazaki Aichi Japan 4448585 i, Okazaki, Aichi 4448585, Japan Grad Univ Adv Studies, Sch Math & Phys Sci, Dept Funct Mol Sci, Okazaki, Aichi 4448585, Japan Grad Univ Adv Studies Okazaki Aichi Japan 4448585 i, Aichi 4448585, Japan
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 38, volume: 104, anno: 2000,
pagine: 8649 - 8659
SICI:
1089-5639(20000928)104:38<8649:SADO9A>2.0.ZU;2-F
Fonte:
ISI
Lingua:
ENG
Soggetto:
DOUBLE-RESONANCE SPECTROSCOPY; DIP INFRARED-SPECTROSCOPY; OH STRETCHING VIBRATIONS; UV DOUBLE-RESONANCE; SPECTRA; (H2O)(N); ULTRAVIOLET; COMPLEXES; STATES; RAMAN;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
38
Recensione:
Indirizzi per estratti:
Indirizzo: Ohshima, Y Kyoto Univ, Grad Sch Sci, Dept Chem, Sakyo Ku, Kitashirakawa Oiwakecho, Kyoto 6068502, Japan Kyoto Univ Kitashirakawa Oiwakecho Kyoto Japan 6068502 , Japan
Citazione:
M. Mitsui et al., "Structure and dynamics of 9(10H)-acridone and its hydrated clusters. II. Structural characterization of hydrogen-bonding networks", J PHYS CH A, 104(38), 2000, pp. 8649-8659

Abstract

The present paper represents fluorescence-detected infrared measurements of 9(10H)-acridone (AD) and 10 of its fluorescent hydrated clusters, AD-(H2O), (n = 1-5 and more), which have been performed by monitoring the fluorescence from their (1)(pi,pi*) electronic origin transitions reported in paperI. In the n = 1 and 2 clusters, free N-H stretching band has been identified in addition to O-H stretching bands characteristic to water molecules acting as single proton donors. As the next solvation step, the II-bonded O-Hstretches are further developed in the red-shifted region and the N-H stretch becomes involved in the hydrogen-bonds for the n = 3-5 clusters. For n greater than or equal to 6, more than one pair of double-donor O-H stretches appear. These spectral features are well correlated to the stepwise evolution in the hydrogen-bonding networks in AD-(H2O)(n), which have been predicted by the (pi,pi*) spectral-shift analysis and DFT calculations presentedin paper I: water units are bound to the C=O site for n = I and 2, a single water chain bridges between the C=O and N-H sites above the AD aromatic rings for n = 3-5, and water bridges become branched for n greater than or equal to 6 and probably form three-dimensional cages at higher aggregation levels. Differences in hydrogen-bonding topologies, stabilities, and dynamical behaviors among the conformers are discussed on the basis of the experimental observations, the DFT calculations, and comparison with other hydrated aromatic clusters.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 20/09/20 alle ore 04:27:07