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Updated: Sep 13, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Ne*(3P2,0) + CO chemi-ionization reactions: Atomic alignment and molecular orientation effects
Junwen Zou1, Andreas Osterwalder1, Eleonora Manuali2
1Institute for Chemical Sciences and Engineering (ISIC), Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland.
Abstract:
The present study exploits the recent formulation of the optical potential that provided an internally consistent representation of the interaction between Ne*(3P2,0) + CO reagents and Ne + CO+(X2Σ, A2Π) products. The coupling between neutral entrance and ionic exit reaction channels, to isolate novel stereo-dynamic effects on chemical reactivity promoted by both atomic alignment and molecular orientation, has been proposed within the adopted theoretical approach. The control exhibited by such effects on each microscopic passage from reagents to products in defined initial and final quantum states has been characterized. In particular, the collisions of reagents in selected quantum states lead to the formation of the reaction transition state in specific configurations that open the passage to ionic products in the ground and in the first excited electronic state. Therefore, the characterization of state-to-state passages from reactants to products, often unknown, appears to be of great general interest for the stereo-dynamic control of these and many other elementary processes.
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