Journal ArticleDOI
Valence Ionization Energies of Hydrocarbons
Reads0
Chats0
TLDR
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
Citations
More filters
Journal ArticleDOI
From the (1B) Spectroscopic State to the Photochemical Product of the Ultrafast Ring-Opening of 1,3-Cyclohexadiene: A Spectral Observation of the Complete Reaction Path.
TL;DR: All stages of the electrocyclic ring-opening of 1,3-cyclohexadiene (CHD) were observed by time-resolved photoionization-photoelectron spectroscopy, revealing a 1B lifetime of 30 fs and a time-sequenced progression of Rydberg states that includes s, p, and d states of the series n = 3 to 6.
Journal ArticleDOI
MCPBA Epoxidation of Alkenes: Reinvestigation of Correlation between Rate and Ionization Potential
TL;DR: In this article, a kinetic equation provides relative rate constants from product analysis under competition conditions for epoxidation of a large number of alkenes with m-chloroperbenzoic acid in methylene chloride.
Journal ArticleDOI
The valence orbital momentum distributions and binding energy spectra of methane by electron momentum spectroscopy: Quantitative comparisons using near Hartree-Fock limit and correlated wavefunctions
TL;DR: In this article, the binding energies and momentum distributions of the two valence orbitals of SiH 4 have been measured by electron momentum spectroscopy, and the measured binding energy spectrum is compared with ADC(3) and ADC(4) many-body Green function calculations.
Journal ArticleDOI
Through-bond interactions and the localization of excited-state dynamics.
TL;DR: Experimental and computational results suggest that the excited-state dynamics of cyclohexa-1,4-diene become localized at a single double bond and that the effects of through-bond interaction, dominant in the absorption spectrum, are absent in the excited -state dynamics.
Journal ArticleDOI
The C4H6•+ Potential Energy Surface. 1. The Ring-Opening Reaction of Cyclobutene Radical Cation and Related Rearrangements
TL;DR: In this paper, the authors show that the cyclobutene radical cation (CB•+) follows two competitive pathways, whose energy barriers differ by less than 1 kcal/mol at the highest level of theory employed.
References
More filters
Journal ArticleDOI
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
TL;DR: In this paper, Fock's Naherungsmethode zur Behandung des quantenmechanischen Mehrelektronenproblems aufgestellten Gleichungen werden auf etwas allgemeinerer Grundlage diskutiert.
Journal ArticleDOI
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
Journal ArticleDOI
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.
Journal ArticleDOI
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.