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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Tabletop Femtosecond VUV Photoionization and PEPICO Detection of Microreactor Pyrolysis Products.
David E. Couch,Grant T. Buckingham,Joshua H. Baraban,Jessica P. Porterfield,Laura A. Wooldridge,G. Barney Ellison,Henry C. Kapteyn,Margaret M. Murnane,William K. Peters +8 more
TL;DR: The photoion-photoelectron spectrometer can detect and identify organic radicals and reactive intermediates that result from pyrolysis, and direct comparison of laboratory and synchrotron data illustrates the advantages and potential of this approach.
Journal ArticleDOI
Investigation of valence orbitals of propene by electron momentum spectroscopy.
TL;DR: The experiment was carried out at impact energies of 1200 eV and 600 eV on the state-of-the-art EMS spectrometer developed at Tsinghua University recently and presents a strong support for the correct ordering of the orbital 8a' and 1a'',
Journal ArticleDOI
Probing the surface molecular structure in the ups spectra of octadecanethiol and 1-cyclohexyl-12-dodecanethiol self-assembled on gold
TL;DR: UPS studies of monolayers of octadecanethiol and 1-cyclohexyl-12-dodecanethiol chains self-assembled on gold evidence the fact that molecular structure fingerprints can be detected in the outer valence region as mentioned in this paper.
Journal ArticleDOI
Optimization of the spin-component-scaled factor for electron propagator method
TL;DR: In this paper, a cost-free modification of second-order electron propagator theory (ex-SCS-EP2) to improve the description of ionization energies based on spin-component-scaled approximation is proposed.
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The lowest valence transitions of 1,1'-bicyclohexylidene and 1,1';4',1'-tercyclohexylidene. An ab initio MRDCI study
TL;DR: In this article, the authors performed ab initio MRDCI calculations on the oligo(cyclohexylidenes) 1,1′-bicyclohexynylidene (1) and 1, 1′:4′,1″-tercyclo-hexylidenes (2) using RHF/6-31G geometries and molecular orbitals for the assignment of their lowest valence transitions taking into account the four lowest states of each symmetry.
References
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TL;DR: In this paper, Fock's Naherungsmethode zur Behandung des quantenmechanischen Mehrelektronenproblems aufgestellten Gleichungen werden auf etwas allgemeinerer Grundlage diskutiert.
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Core-electron relaxation energies and valence-band formation of linear alkanes studied in the gas phase by means of electron spectroscopy
J.J. Pireaux,Svante Svensson,E. Basilier,P.-A. Malmqvist,Ulrik Gelius,R. Caudano,Kai Siegbahn +6 more
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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.