Abstract
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 language | English |
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Article number | N01 |
Pages (from-to) | C1-C5 |
Journal | Physica Scripta |
Volume | 73 |
Issue number | 1 |
DOIs | |
State | Published - 1 Jan 2006 |