Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules

Jonelle Harvey's book outlines two related experimental techniques, threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques, which are utilised to investigate small halogenated molecules. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, a synchrotron photon source, which has the advantage over popular laser photon-sources of extreme ease of tunability. Three studies are presented which combine experimental and computational ab initio approaches: studying the fast dissociations of halogenated methanes in order to construct a self-consistent thermochemical network; investigating the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators; and uncovering how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns. The details included in this thesis are useful for researchers working in the same field and those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.

Inhaltsverzeichnis

From the Contents: Introduction.- Measuring the photoelectron signal.- The study of ionic dissociations.- Thermochemistry.- Experimental.- The synchrotron radiation source.- The endstation.- Capturing the electron signal.- The experimental results.- Theory.- Computational methods.- Modelling.

Über den Autor / die Autorin

Jonelle Harvey completed her PhD in 2013. This was a joint project between the University of Birmingham and the Paul Scherrer Institut, Switzerland. She is now a research fellow of the University of Birmingham and is engaged in another successful collaboration with the Paul Scherrer Institute.

Zusammenfassung

Jonelle Harvey's book outlines two related experimental techniques, threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques, which are utilised to investigate small halogenated molecules. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, a synchrotron photon source, which has the advantage over popular laser photon-sources of extreme ease of tunability. Three studies are presented which combine experimental and computational ab initio approaches: studying the fast dissociations of halogenated methanes in order to construct a self-consistent thermochemical network; investigating the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators; and uncovering how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns. The details included in this thesis are useful for researchers working in the same field and those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.

Produktdetails

• Autoren: Jonelle Harvey
• Verlag: Springer, Berlin
• Sprache: Englisch
• Produktform: Taschenbuch
• Erschienen: 01.01.2016
• EAN: 9783319379913
• ISBN: 978-3-31-937991-3
• Seiten: 174
• Abmessung: 155 mm x 10 mm x 235 mm
• Gewicht: 295 g
• Illustration: XIII, 174 p. 63 illus., 39 illus. in color.
• Serien: Springer Theses; Springer Theses
• Themen: Naturwissenschaften, Medizin, Informatik, Technik > Chemie > Physikalische Chemie; B, Kernphysik, Quanten- und theoretische Chemie, Chemistry and Materials Science, Nuclear physics, Physical Chemistry, Atomic structure, Molecular structure, Atomic/Molecular Structure and Spectra, Atomic and Molecular Structure and Properties, Quantum & theoretical chemistry, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry