Literature DB >> 16050740

Molecular-beam study of the water-helium system: features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces.

David Cappelletti1, Vincenzo Aquilanti, Elena Cornicchi, Marc Moix Teixidor, Fernando Pirani.   

Abstract

We report molecular-beam measurements of the total integral cross sections for the scattering of water molecules by helium atoms. A combined analysis of the new experimental data together with available differential cross section results has allowed an accurate determination of the isotropic component of the interaction potential for this prototypical system. The potential well shows a depth of 0.265 +/- 0.010 kJ/mol at a distance between He and the center of mass of the water molecule of 0.345 +/- 0.02 nm. An effective isotropic long-range attraction constant C(LR) = (6.3+/-0.3) x 10(-4) kJ mol(-1) nm(-6), including both dispersion and induction contributions, has also been determined. The most recent and accurate ab initio potential-energy surfaces have been tested against these new experimental results.

Entities:  

Year:  2005        PMID: 16050740     DOI: 10.1063/1.1988307

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Rovibrational energies and spectroscopic constants for H2O-Ng complexes.

Authors:  Wiliam F da Cunha; Rhuiago Mendes de Oliveira; Luiz F Roncaratti; João B L Martins; Geraldo M e Silva; Ricardo Gargano
Journal:  J Mol Model       Date:  2014-11-26       Impact factor: 1.810

  1 in total

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