Excited State Proton Transfer in the S1 State of 2-Allylphenol, 2- Propenylphenol and 2-Propylphenol and Their van der Waals Clusters with Water and Ammonia

Abstract

Excited state intramolecular and intermolecular proton transfer reactions in cold, isolated 2-allylphenol, 2-propenylphenol and 2-propylphenol and their clusters with water and ammonia are investigated employing a combination of spectroscopic techniques (mass resolved excitation, threshold photo-ionization, dispersed emission), a semi-empirical MNDO calculation (MOPAC 5) and a potential energy calculation of cluster structure. Threshold photo- ionization spectroscopy proves to be useful for the identification of molecular conformers in these systems but has mixed results for the identification of proton transfer in their clusters.

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Document Details

Document Type
Technical Report
Publication Date
Mar 07, 1991
Accession Number
ADA233089

Entities

People

  • Elliot R. Bernstein
  • S. C. Hsu
  • S.K. Kim
  • Shengxi Li

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Reactions
  • Chemistry
  • Emission Spectra
  • Emission Spectroscopy
  • Filters
  • Fragmentation
  • Frequency
  • Hydrogen
  • Hydrogen Bonds
  • Impurities
  • Intensity
  • Ionization
  • Military Research
  • Molecular Structure
  • Potential Energy
  • Solvation
  • Spectroscopy

Fields of Study

  • Chemistry

Readers

  • Aquatic Ecology
  • Molecular Photonics/Laser Physics
  • Quantum Chemistry