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Some advances in gas phase photoelectron spectroscopy

Some advances in gas phase photoelectron spectroscopy
Some advances in gas phase photoelectron spectroscopy

The apparatus and techniques applicable to experimental Photoelectron Spectroscopy and theoretical Molecular Orbital calculations are described in detail. 

The first three photoelectron bands of the fluorine monoxide (FO, X2π) radical have been identified experimentally. Analysis of the experimental data lead to accurate adiabatic ionization potentials and ionic state frequencies. Assignment of the bands was aided by the results of ab initio molecular orbital calculations. 

The gas phase reaction of fluorine atoms with hydroisocyanic acid (HNCO) was investigated. No evidence could be found in the observed spectra for the isocyanate radical (NCO). However fluorine cyanate (FOCN) was proposed as the primary product of the radical quenching reaction. Detailed theoretical calculations yielded accurate potential energy curves for hydrogen fluoride (HF) and its two lowest cationic states (HF+(X2π) and HF+(A2+)). Vibrational band envelopes in the HeI photoelectron spectrum were computed for ionization from various vibrationally excited states of HF. 

In addition design details, and initial results, are given for a multidetector Photoelectron Spectrometer.

University of Southampton
Mills, Jonathan David
8d10bcfe-5021-4a5d-8ed3-f8892e2cc1a5
Mills, Jonathan David
8d10bcfe-5021-4a5d-8ed3-f8892e2cc1a5

Mills, Jonathan David (1982) Some advances in gas phase photoelectron spectroscopy. University of Southampton, Doctoral Thesis, 224pp.

Record type: Thesis (Doctoral)

Abstract

The apparatus and techniques applicable to experimental Photoelectron Spectroscopy and theoretical Molecular Orbital calculations are described in detail. 

The first three photoelectron bands of the fluorine monoxide (FO, X2π) radical have been identified experimentally. Analysis of the experimental data lead to accurate adiabatic ionization potentials and ionic state frequencies. Assignment of the bands was aided by the results of ab initio molecular orbital calculations. 

The gas phase reaction of fluorine atoms with hydroisocyanic acid (HNCO) was investigated. No evidence could be found in the observed spectra for the isocyanate radical (NCO). However fluorine cyanate (FOCN) was proposed as the primary product of the radical quenching reaction. Detailed theoretical calculations yielded accurate potential energy curves for hydrogen fluoride (HF) and its two lowest cationic states (HF+(X2π) and HF+(A2+)). Vibrational band envelopes in the HeI photoelectron spectrum were computed for ionization from various vibrationally excited states of HF. 

In addition design details, and initial results, are given for a multidetector Photoelectron Spectrometer.

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Mills 1982 Thesis - Version of Record
Available under License University of Southampton Thesis Licence.
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Published date: 1982

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Local EPrints ID: 460105
URI: http://eprints.soton.ac.uk/id/eprint/460105
PURE UUID: a2995149-f335-4fea-bbc8-ce2e95ebac2b

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Date deposited: 04 Jul 2022 17:53
Last modified: 16 Mar 2024 18:35

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Author: Jonathan David Mills

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