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A novel Monte Carlo algorithm for polarizable force fields: Application to a fluctuating charge model for water
In this Monte Carlo algorithm for polarizable force fields, the fluctuating charges are treated as special degrees of freedom subject to a secondary low-temperature thermostat in close analogy to the ...

The hydrogen-bonding topologies of indole–(water)n clusters from resonant ion-dip infrared spectroscopy

J. Chem. Phys. 108, 3379 (1998); doi:10.1063/1.475356

Issue Date: 1 March 1998

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Joel R. Carney, Fredrick C. Hagemeister, and Timothy S. Zwier
Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-1393
A combination of resonant two-photon ionization, infrared-ultraviolet hole burning, and resonant ion-dip infrared spectroscopies are used to assign and selectively probe the hydrogen bonding topologies of indole–(water)n clusters with n = 1,2. The indole–(water)1 complex is confirmed to possess the N – H[centered ellipsis]OH2 structure surmised from previous studies. However, the bands in the ultraviolet previously assigned to a pi H-bound indole–water complex are shown to be due instead to the indole–(water)2 cluster in which the water dimer forms a H-bonded bridge between the N–H and aromatic pi clouds of indole. The implications of this reassignment for our understanding of the influence of H-bonding solvents on indole's fluorescence properties are discussed. ©1998 American Institute of Physics.
History: Received 17 November 1997; accepted 22 December 1997
Permalink: http://link.aip.org/link/?JCPSA6/108/3379/1
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KEYWORDS and PACS

Keywords
PACS
  • 36.40.-c
    Studies of special atoms, molecules, and their ions; clusters Atomic and molecular clusters
  • 33.20.Ea
    Molecular properties and interactions with photons Molecular spectra Infrared spectra
  • 33.15.Fm
    Molecular properties and interactions with photons Properties of molecules and molecular ions Bond strengths, dissociation energies
  • 33.80.-b
    Molecular properties and interactions with photons Photon interactions with molecules
  • YEAR: 1998

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (28)
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