Document Server@UHasselt >
Research >
Research publications >

Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/892

Title: Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds
Authors: DELEUZE, Michael
Delhalle, J.
Issue Date: 2001
Publisher: ACS
Citation: JOURNAL OF PHYSICAL CHEMISTRY A, 105(27). p. 6695-6702
Abstract: In this contribution, we report a quantitative analysis of gas-phase ultraviolet photoelectron spectra (HeI) of model compounds such as cyclopentane, cyclohexane, and cycloalkyl-1-alkane derivatives, by means of outer-valence Green's function (OVGF) calculations. These spectra and their OVGF theoretical simulations are also compared with UPS measurements on -cycloalkyl--alkanethiol monolayers adsorbed on gold. This theoretical study analyses the dependence of valence ionization spectra of saturated hydrocarbons on structural characteristics (configuration, conformation, and torsional flexibility).
URI: http://hdl.handle.net/1942/892
DOI: 10.1021/jp004406+
ISI #: 000169823500013
ISSN: 1089-5639
Category: A1
Type: Journal Contribution
Validation: ecoom, 2002
Appears in Collections: Research publications

Files in This Item:

There are no files associated with this item.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.