TY - BOOK ID - 14220861 TI - Modelling the dissociation dynamics and threshold photoelectron spectra of small halogenated molecules PY - 2014 SN - 3319029754 3319029762 PB - Cham [Switzerland] : Springer, DB - UniCat KW - Chemistry. KW - Halogenation. KW - Physical chemistry. KW - Chemistry, Physical and theoretical. KW - Atomic structure. KW - Molecular structure. KW - Spectra. KW - Physical Chemistry. KW - Atomic/Molecular Structure and Spectra. KW - Theoretical and Computational Chemistry. KW - Physical sciences KW - Chemistry, Physical organic. KW - Chemistry, Physical organic KW - Chemistry, Organic KW - Chemistry, Physical and theoretical KW - Atomic structure  . KW - Molecular structure . KW - Chemistry, Theoretical KW - Physical chemistry KW - Theoretical chemistry KW - Chemistry KW - Structure, Molecular KW - Chemical structure KW - Structural bioinformatics KW - Structure, Atomic KW - Atomic theory KW - Photoelectron spectroscopy. KW - Dissociation. KW - Halocarbons. UR - https://www.unicat.be/uniCat?func=search&query=sysid:14220861 AB - Jonelle Harvey’s thesis outlines two related experimental techniques which are utilised to investigate small halogenated molecules: threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, which is a synchrotron photon source offering easy tunability. In this thesis, three studies are presented which combine experimental and computational ab initio approaches. The first study involves the fast dissociation of halogenated methanes in order to construct a self-consistent thermochemical network. The second study investigates the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators. The third study uncovers how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns.The details included in this work are useful for researchers in the same field as well as those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy. ER -