Direct evidence of hydrogen-atom tunneling dynamics in the excited state hydrogen transfer (ESHT) reaction of phenol–ammonia clusters

文献情報

出版日 2013-12-13

DOI 10.1039/C3CP54362E

インパクトファクター 3.676

著者

J. D. Rodríguez, M. G. González, L. Rubio-Lago, L. Bañares

原文を見る

要旨

The photodynamics of phenol–ammonia clusters, PhOH(NH3)3–5, after one UV photon absorption, has been investigated using velocity map imaging of the NH4(NH3)2–4 cluster products. The dependence of the NH4(NH3)2 translational energy distributions on the available energy reveals three dynamical regions in close correspondence with the photodissociation of bare phenol. At low excitation energies (between 282 and 260 nm), the NH4(NH3)2 distribution mirrors the hydrogen-atom passage through the 11ππ*–11πσ* barrier, constituting the first evidence of hydrogen-atom tunneling dynamics in an excited state hydrogen transfer (ESHT) reaction. At excitation wavelengths below 260 nm, the product distributions are consistent with two separate barrierless dissociation processes associated, respectively, with excitation to the 11ππ* and 21ππ* excited electronic states. Similar conclusions can be derived from the velocity map imaging results on the larger NH4(NH3)3,4 cluster products.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.