Kinetics of dimerization in stack crystal structures

David L. Wernick, Steven Schochet

Research output: Contribution to journalArticlepeer-review

Abstract

An idealized kinetic model and computer simulations of solid-state dimerization processes in stack-type crystal structures are reported. The expected concentration of isolated monomers, trapped between neighboring dimers, is 1/e2 ≈ 13.53% at the conclusion of dimerization. Expressions are derived for the concentration of monomers in environments with two, one, or zero monomeric nearest neighbors, as functions of conversion. Factors governing the quantum yield of photodimerizations and the rate of thermal dimerizations are analyzed. Deviations from the model due to reaction at defect sites, to solid-state diffusion, or to lattice distortions during the course of dimerization are considered.

Original languageEnglish
Pages (from-to)6773-6778
Number of pages6
JournalJournal of Physical Chemistry
Volume92
Issue number23
DOIs
StatePublished - 1988

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