Librational Control of Photochemical Reactions in Small Clusters

Structure and electronic clouds of the Cl···HCl complex model

Pavel Jungwirth, Petra Zdánská, and Burkhard Schmidt

A novel approach to the control of photochemical reaction yield in hydrogen containing clusters is outlined and applied to the process of the Cl2 molecule formation from a UV photolyzed Cl...HCl species. The control mechanism consists in a far-IR preexcitation of the large amplitude hydrogenic bending (librational) mode prior to the HCl photodissociation, leading to more than a factor of two enhancement of the Cl2 yield both in the parent and deuterated cluster.

J. Phys. Chem. A 102 (37), 7241-7244(1998)