Date of Award

5-1-1968

Document Type

Thesis

Degree Name

Master of Science (M.S.) in Chemistry

Department

Chemistry

Physical Description

1 online resource (iii, 133 leaves)

Subjects

Chemical kinetics -- Computer programs

DOI

10.15760/etd.785

Abstract

Treating the activated complex for unimolecular dissociation as uncoupled fragments simplifies the calculation of transition-state frequencies in the quasi-equilibrium-theory formulation of an isotopic rate-constant ratio. The general method is applied to the specific case of the intramolecular kinetic isotope effect in decarboxylation of malonic acid. The fragment models are further simplified by means of the “cut-off” approximation of Sterm and Wolfsberg. These model calculations are in agreement with the presently available experimental results. Applicability to reactions involving simultaneous multiple bond rupture or formation is noted.

Description

Portland State College. Dept. of Chemistry

Persistent Identifier

http://archives.pdx.edu/ds/psu/8350

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