Molecular reaction dynamics looks toward the next century: Understanding complex systems

R. D. Levine*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Chemical reaction dynamics is making increasing contact with 'real' chemistry: examination of more elaborate reaction mechanisms typical of organic chemistry, the study of chemical reactions where the medium plays an active role (as is often the case in solution and on surfaces) and the ability to mimic systems of biochemical complexity are all of current interest. Much of our early conceptual understanding was acquired by the study of isolated, simple chemical exchange reactions in which one bond is broken and another bond is formed, in concert. A central feature in these reactions is the high selectivity which can be achieved by the choice of initial conditions and the considerable specificity of the resulting products. These themes do carry over to the world of more complex systems. Applications discussed include four center reactions, activated chemical reactions in solution, in clusters and on surfaces and photochemical processes. Surprisal analysis, long used to characterize the selectivity and specificity in simple reactions, is equally applicable here and the dynamical origin for the approach is discussed. The primary conclusion is that at the dawn of the new millennium, chemical reaction dynamics is ready to make inroads into the world of reactions of realistic complexity.

Original languageEnglish
Pages (from-to)83-90
Number of pages8
JournalPure and Applied Chemistry
Volume69
Issue number1
DOIs
StatePublished - Jan 1997

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