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

Corrales Castellanos, Maria Eugenia; Loriot, Vincent; Balerdi Villanueva, Garikoitz; González Vázquez, Jesús; Nalda Míguez, Rebeca de; Bañares Morcillo, Luis; Zewail, Ahmed

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

Download

Ultrafast_chemical_bond_cleavage.pdf (2.35 MB)

Official URL

https://doi.org/10.1039/c3cp54677b

Publication date

2014

Authors

Corrales Castellanos, Maria Eugenia

Loriot, Vincent

Balerdi Villanueva, Garikoitz

González Vázquez, Jesús

Nalda Míguez, Rebeca de

Bañares Morcillo, Luis

Zewail, Ahmed

Publisher

Royal Society of Chemistry

Citations

Exportar

URI

https://hdl.handle.net/20.500.14352/96874

Citation

Corrales, María E., et al. «Structural Dynamics Effects on the Ultrafast Chemical Bond Cleavage of a Photodissociation Reaction». Physical Chemistry Chemical Physics, vol. 16, n.o 19, 2014, p. 8812. https://doi.org/10.1039/c3cp54677b.

Abstract

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