000 03150nam a22004575i 4500
001 978-3-319-02976-4
003 DE-He213
005 20140220082512.0
007 cr nn 008mamaa
008 131109s2014 gw | s |||| 0|eng d
020 _a9783319029764
_9978-3-319-02976-4
024 7 _a10.1007/978-3-319-02976-4
_2doi
050 4 _aQD450-882
072 7 _aPNR
_2bicssc
072 7 _aSCI013050
_2bisacsh
082 0 4 _a541
_223
100 1 _aHarvey, Jonelle.
_eauthor.
245 1 0 _aModelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules
_h[electronic resource] /
_cby Jonelle Harvey.
264 1 _aCham :
_bSpringer International Publishing :
_bImprint: Springer,
_c2014.
300 _aXIII, 174 p. 63 illus., 39 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
505 0 _aFrom 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.
520 _aJonelle 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.
650 0 _aChemistry.
650 0 _aChemistry, Physical organic.
650 1 4 _aChemistry.
650 2 4 _aPhysical Chemistry.
650 2 4 _aAtomic/Molecular Structure and Spectra.
650 2 4 _aTheoretical and Computational Chemistry.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783319029757
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5053
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-319-02976-4
912 _aZDB-2-CMS
999 _c92941
_d92941