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Published May 21, 2014 | Supplemental Material
Journal Article Open

Structural dynamics effects on the ultrafast chemical bond cleavage of a photodissociation reaction


The correlation between chemical structure and dynamics has been explored in a series of molecules with increasing structural complexity in order to investigate its influence on bond cleavage reaction times in a photodissociation event. Femtosecond time-resolved velocity map imaging spectroscopy reveals specificity of the ultrafast carbon–iodine (C–I) bond breakage for a series of linear (unbranched) and branched alkyl iodides, due to the interplay between the pure reaction coordinate and the rest of the degrees of freedom associated with the molecular structure details. Full-dimension time-resolved dynamics calculations support the experimental evidence and provide insight into the structure–dynamics relationship to understand structural control on time-resolved reactivity.

Additional Information

© 2014 The Owner Societies. Received 21st November 2013; accepted 18th December 2013. M.E.C. thanks financial support from the Spanish Ministry of Education through a FPU fellowship. V.L. is grateful for financial support from the JAE-DOC program of CSIC. This work has been financed by the Spanish MINECO through grants no. CTQ2008-02578, CTQ2012-37404-C02-01 and Consolider SAUUL CSD2007-00013 and by European Union ITN network PITN-GA-2008-214962. This research has been performed within the Unidad Asociada "Química Física Molecular" between UCM and CSIC. The authors gratefully acknowledge the facilities provided by the Centro de Láseres Ultrarrápidos (UCM).

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