Curve-crossing model
Term · Chemistry · MLC-T-CHM-002800
A valence-bond model of organic reactivity, associated with Shaik and Pross, that builds a reaction profile from curves giving the energy of the configurations representing reactants, products, and any intermediate along the reaction coordinate. The curves cross, and mixing at the crossing produces the barrier of the adiabatic profile, whose height depends on the energy gap between the ground and promoted configurations and on the resonance stabilization at the crossing.
| Identifier | MLC-T-CHM-002800 |
|---|---|
| Field | Chemistry |
| Subject | Organic and Biomolecular Chemistry |
| References | PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1933 (https://doi.org/10.1351/pac199971101919) |
| See also | Reaction coordinate; Transformation |
Record as JSON
{
"id": "MLC-T-CHM-002800",
"term": "Curve-crossing model",
"field": "Chemistry",
"definition": "A valence-bond model of organic reactivity, associated with Shaik and Pross, that builds a reaction profile from curves giving the energy of the configurations representing reactants, products, and any intermediate along the reaction coordinate. The curves cross, and mixing at the crossing produces the barrier of the adiabatic profile, whose height depends on the energy gap between the ground and promoted configurations and on the resonance stabilization at the crossing.",
"subject": "Organic and Biomolecular Chemistry",
"see_also": [
"reaction coordinate",
"transformation"
],
"references": [
"PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1933 (https://doi.org/10.1351/pac199971101919)"
],
"url": "https://mlchart.com/terminology/chemistry/curve-crossing-model/"
}
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