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

被引:23
作者
Garcia, Gustavo A. [1 ]
Gans, Berenger [2 ]
Kruger, Julia [1 ]
Holzmeier, Fabian [1 ,3 ]
Roder, Anja [1 ]
Lopes, Allan [5 ]
Fittschen, Christa [4 ]
Alcaraz, Christian [5 ]
Loison, Jean-Christophe [6 ]
机构
[1] Synchrotron SOLEIL, Orme Merisiers, BP 48, Gif Sur Yvette, France
[2] ISMO, Orsay, France
[3] Lab Chim Phys Orsay, Orsay, Ile De France, France
[4] Univ Lille 1, Villeneuve Dascq, France
[5] Univ Paris Sud & Paris Saclay, Ctr Univ Paris Sud, Lab Chim Phys, CNRS,UMR 8000, Bat 350, F-91405 Orsay, France
[6] Univ Bordeaux, ISM, Talence, France
关键词
VACUUM-ULTRAVIOLET PHOTOIONIZATION; EMISSION PUMPING SPECTROSCOPY; AB-INITIO; ASTRONOMICAL DETECTION; IONIZATION ENERGIES; MASS-SPECTROMETRY; CROSS-SECTION; C-3; IDENTIFICATION; PROPARGYLENE;
D O I
10.1039/c8cp00510a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 C-3, 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.
引用
收藏
页码:8707 / 8718
页数:12
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