Journal ArticleDOI
Valence Ionization Energies of Hydrocarbons
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In this paper, the experimental valence ionisation energies of 143 hydrocarbons, CnHm, have been determined from their He (IIα) (40.80 eV) and He (Iα)(21.22 eV)-excited photoelectron spectra.Abstract:
Experimental valence ionisation energies of 143 hydrocarbons, CnHm, have been determined from their He (IIα) (40.80 eV) and He (Iα) (21.22 eV) excited photoelectron spectra. Ionization energies, usually up to 26 eV are given in tabular form for 108 hydrocarbons with n≤6, together with their (tentative) assignment. The ionization energies up to approximately 25 eV, of 35 selected hydrocarbons with 7≤n≤10, are presented by means of their He (IIα) photoelectron spectra.read more
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Products of the Propargyl Self-Reaction at High Temperatures Investigated by IR/UV Ion Dip Spectroscopy
TL;DR: The propargyl radical is considered to be of key importance in the formation of the first aromatic ring in combustion processes, and a mechanism that connects the two pathways is suggested.
Journal ArticleDOI
Methane elimination from ionized propane through an ion-neutral complex : an ab initio study
TL;DR: In this article, the major unimolecular decompositions of ionized propane, namely, methane elimination and methyl radical loss, were investigated at the UMP2/6-31G(d) (mole...
Journal ArticleDOI
Gasphasen‐Reaktionen, 22. Thermische Erzeugung von C4H4O: Vinylketen und Ethylidenketen
TL;DR: In this article, the temperature-dependent changes of amounts of products in the heated flow system are analyzed by photoelectron spectra: based on MNDO calculations and in accordance with literature data, the vinylketene structure H2CCRHCCO is assigned to the thermolysis product.
Journal ArticleDOI
Experimental revaluation of the importance of the abstraction channel in the reactions of monoterpenes with OH radicals.
Caroline Rio,Caroline Rio,Pierre-Marie Flaud,Pierre-Marie Flaud,Jean-Christophe Loison,Jean-Christophe Loison,Eric Villenave,Eric Villenave +7 more
TL;DR: It is proposed that oxidation products resulting from the H-abstraction should not be neglected in the mechanisms describing the formation of secondary organic aerosols (SOA) from gas-phase reactions of monoterpenes+OH.
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Thermochemistry of cyclopentadienylidene (c-C5H4, C2v, 3B1), cyclopentadienyl radical (c-C5H5•, C2v, 2B1) and 1,3-cyclopentadiene (c-C5H6, C2v, 1A1): a theoretical study by the G2M(RCC,MP2) method
TL;DR: In this article, the G2M (RCC,MP2) level thermochemistry of c-C5H4 (3B1), c-c5H5• and c-5H6 was investigated at the G 2M level.
References
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High resolution molecular photoelectron spectroscopy. III. Acetylenes and aza-acetylenes
C. Baker,D. W. Turner +1 more
TL;DR: In this paper, the spectra of the 584 A (21·22 eV) photoelectron were reported for the following linear unsaturated molecules: acetylene, dideutero-acetylene, hydrogen cyanide, deuterium cyanide and diacetylene.
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Ultra-violet photoelectron data on the complete valence shells of molecules recorded using filtered 30.4 nm radiation
TL;DR: In this paper, it was shown that in many molecules the summed binding energies of the molecular orbitals built from 2s atomic orbitals may be divided up into atomic contributions which agree in magnitude with those obtained for the same atoms in other molecules.
Journal ArticleDOI
High Resolution Molecular Photoelectron Spectroscopy. I. Fine Structure in the Spectra of Hydrogen and Oxygen
TL;DR: In this paper, a photo-electron spectrometer is described which uses focusing deflexion in a radial electrostatic field for energy analysis, and an over-all limit of about 0.002 eV is deduced as the smallest attainable line width in ordinary circumstances.