Some studies of small molecules by photoelectron spectroscopy
Some studies of small molecules by photoelectron spectroscopy
In this thesis, a number of molecules have been produced in the gas-phase by both high temperature pyrolysis and rapid atom-molecule reactions for investigation with photoelectron spectroscopy. The He(i) photoelectronspectra of Sn0(X1E+), PH2(X2B1), P(4 S), PH(X3E ), PF(X3E ), PF2(X2B1)and PO(X2n) have been recorded. For the diatomic molecules for which vibrational structure is observed in the photoelectron spectra estimates are made of the spectroscopic constants re, e and Oe in the associated state of the molecular ion. For PH2 the ground electronic state is shown to be (X1A1) unlike which has a (331) ground state. The observed spectra have been interpreted using a variety of theoretical methods namely ab initio ASCP Hartree-Fock calculations, Ms-Xa SCF calculations and Hartree-Fock-Slater DVXa calculations. Also, by carrying out ab initio SCF calculations on SiH2(X1A1) and SiH2(XZAl) at different geometries and performing a force field analysis, the equilibrium geometry, and symmetric stretching and bending frequencies of these states have been computed. On the basis of these calculations, it is shown that the band centred at (8.74)eV observed from the F+SiH4 reaction cannot be attributed to ionization of Sill 2.
University of Southampton
Ridha, Abed Mahmoud Abdul
1983
Ridha, Abed Mahmoud Abdul
Ridha, Abed Mahmoud Abdul
(1983)
Some studies of small molecules by photoelectron spectroscopy.
University of Southampton, Doctoral Thesis.
Record type:
Thesis
(Doctoral)
Abstract
In this thesis, a number of molecules have been produced in the gas-phase by both high temperature pyrolysis and rapid atom-molecule reactions for investigation with photoelectron spectroscopy. The He(i) photoelectronspectra of Sn0(X1E+), PH2(X2B1), P(4 S), PH(X3E ), PF(X3E ), PF2(X2B1)and PO(X2n) have been recorded. For the diatomic molecules for which vibrational structure is observed in the photoelectron spectra estimates are made of the spectroscopic constants re, e and Oe in the associated state of the molecular ion. For PH2 the ground electronic state is shown to be (X1A1) unlike which has a (331) ground state. The observed spectra have been interpreted using a variety of theoretical methods namely ab initio ASCP Hartree-Fock calculations, Ms-Xa SCF calculations and Hartree-Fock-Slater DVXa calculations. Also, by carrying out ab initio SCF calculations on SiH2(X1A1) and SiH2(XZAl) at different geometries and performing a force field analysis, the equilibrium geometry, and symmetric stretching and bending frequencies of these states have been computed. On the basis of these calculations, it is shown that the band centred at (8.74)eV observed from the F+SiH4 reaction cannot be attributed to ionization of Sill 2.
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Published date: 1983
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Local EPrints ID: 459442
URI: http://eprints.soton.ac.uk/id/eprint/459442
PURE UUID: dc96c2b2-97cd-4fe8-bba8-578c8057a0cc
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Date deposited: 04 Jul 2022 17:10
Last modified: 04 Jul 2022 17:10
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Author:
Abed Mahmoud Abdul Ridha
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