Molecular Jet Study of Van Der Waals Complexes of Flexible Molecules: n-Propyl Benzene Solvated by Small Alkanes.

Abstract

A combination of atom-atom potential calculations and experimental molecular jet spectroscopic studies is used to elucidate the geometry and binding energy of n-propul benzene/methane, ethane, and propane clusters. Two color time-of-flight mass specttoscopy data and calculations are presented for both trans and gauche configurations of n-propul benzene with up to three hydrocarbon molecules of solvation. Cluster shifts and geometry are treated in detail for the observed and calculated systems. Solvation, as observed in the clusters, seems to have little effect on the geometry of the solute in this instance. Alkyl chain motion is also discussed for the n-propyl benzene isolated molecule. Keywords: Supersonic Molecular Jet Spectroscopy; Van der Waals Clusters.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1985
Accession Number
ADA164600

Entities

People

  • Elliot R. Bernstein
  • K. S. Law

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption
  • Absorption Spectra
  • Chemistry
  • Colorado
  • Coordinate Systems
  • Energy
  • Excitation
  • Geometry
  • High Resolution
  • Intensity
  • Mass Spectroscopy
  • Military Research
  • Plastic Explosives
  • Spectra
  • Spectroscopy
  • Transitions
  • United States

Fields of Study

  • Chemistry
  • Physics

Readers

  • Petroleum Engineering
  • Quantum Chemistry

Technology Areas

  • Hypersonics
  • Hypersonics - Hypersonic Flight