Probing electronic rearrangement during chemical reactions

H. Kornweitz, A. Gross, G. Birnbaum, R. D. Levine

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


During a chemical reaction the electronic structure of the reactants reforms to the structure of the products. In the simplest case, an old bond is broken and simultaneously a new bond is formed. Even when this change occurs adiabatically, meaning that the electronic charge distribution tracks the motion of the nuclei without change in its quantum state, there is a displacement of charge, particularly so if there is a switch from a covalent to an ionic bonding. This reorganization can be probed by light emitted during the very collision. The F + H2 reaction is used as a computational example.

Original languageEnglish
Article numberN01
Pages (from-to)C1-C5
JournalPhysica Scripta
Issue number1
StatePublished - 1 Jan 2006


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