Chemical Reactions.
Abstract
Energy distributions of the product diatoms HX were measured experimentally for reactions of the type F + H-R and H + Cl-R'. The measurements were made in a low-pressure, coldwall flow reactor in which unrelaxed vibrational distributions could be observed readily. Among the groups R were -CH2COCF3, -CH2CH2OH, -C(CH3)2OH, -CH2COF, -C2H4COF, -CH(CF3)OH and the groups R' included -PCl2 and -AsCl2. The product energy distributions were related to the structural features of the substrate molecules and some tentative generalizations formulated. The reaction F + (CH3)2CHOH produced unusually intense chemiluminescence which originated primarily from the u = 2 level of HF. The theoretical efforts under this contract aimed at discovering any general relationships between the structure of the substrate molecule and the product energy distribution. Analysis of all available literature data plus those obtained here revealed that the percent of the exothermicity deposited into vibrations of the product diatom decreased linearly as the delta H of the reaction increased. A possible interpretation of this observation in terms of the potential energy surface is discussed. Among the other theoretical contributions was the development of an empirical potential surface which is more flexible than the widely-used LEPS function. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 31, 1976
- Accession Number
- ADA030321
Entities
People
- Richard B. Timmons
- William A. Sanders
Organizations
- The Catholic University of America