論文

査読有り
2000年9月

Structure and dynamics of 9(10H)-acridone and its hydrated clusters. II. Structural characterization of hydrogen-bonding networks

JOURNAL OF PHYSICAL CHEMISTRY A
  • M Mitsui
  • ,
  • Y Ohshima
  • ,
  • S Ishiuchi
  • ,
  • M Sakai
  • ,
  • M Fujii

104
38
開始ページ
8649
終了ページ
8659
記述言語
英語
掲載種別
研究論文(学術雑誌)
出版者・発行元
AMER CHEMICAL SOC

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 paper I. 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-H stretches 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 presented in 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.

リンク情報
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000089561200008&DestApp=WOS_CPL
ID情報
  • ISSN : 1089-5639
  • Web of Science ID : WOS:000089561200008

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