Valence shell threshold photoelectron spectroscopy of C3Hx (x = 0–3)

文献情報

出版日 2018-02-23

DOI 10.1039/C8CP00510A

インパクトファクター 3.676

著者

Gustavo A. Garcia, Bérenger Gans, Julia Krüger, Anja Röder, Allan Lopes, Christa Fittschen, Christian Alcaraz, Jean-Christophe Loison

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要旨

We present the photoelectron spectra of C3Hx (x = 0–3) formed in a microwave discharge flow-tube reactor by consecutive H abstractions from C3H4 (C3Hx + F → C3Hx−1 + HF (x = 1–4)), but also from F + CH4 schemes by secondary reactions. The spectra were obtained combining tunable VUV synchrotron radiation with double imaging electron/ion coincidence techniques, yielding mass-selected threshold photoelectron spectra. The obtained results complement not only existing ones, but for the first time the photoelectron spectra of C3, cyclic and linear C3H (c,l-C3H) as well as of the excited states of C3H3 are reported. In the case of c-C3H, l,t-C3H2 and C3H3, Franck–Condon simulations have been performed in order to assign the vibrational structure. The adiabatic ionization energies of these radicals are reported and compared to ab initio calculated values as well as to theoretical values using known enthalpies of formation.

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.