Molecular Jet Studies of vdW Clusters and Solvation

Abstract

The technique of supersonic molecular jet laser spectroscopy was used to determine the stable conformations of a series of alkylbenzenes. This study demonstrates, for the first time, the sensitivity of molecular jet spectroscopy in determining both the number of stable conformations as well as the geometry of various ethyl, propyl, and butyl substituents relative to the aromatic ring. Different rotamers with low barriers to interconversion, can be isolated in the supersonic jet expansion. Each observed conformation exhibits its own spectroscopic origin in a two-color time-of-flight mass spectrum (TOFMS). The number of stable conformations is then used to determine the minimum energy geometries of the substituent group. Previous identification of individual molecular conformations for such low barriers to interconversion has not been attainable with conventional techniques such as variable-temperature NMR.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Oct 11, 1991
Accession Number
ADA242866

Entities

People

  • Elliot R. Bernstein

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • 1-Ring Heterocyclic Compounds
  • Abstracts
  • Chemical Reactions
  • Chemistry
  • Emission Spectra
  • Emission Spectroscopy
  • Energy
  • Ethers
  • Ground State
  • Mass Spectroscopy
  • Phase
  • Phase Transformations
  • Potential Energy
  • Spectra
  • Spectroscopy
  • Subatomic Particles
  • Transition Temperature

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Quantum Chemistry

Technology Areas

  • Directed Energy
  • Hypersonics
  • Hypersonics - Hypersonic Flight
  • Hypersonics - Hypersonic Flow