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Title: Potential energy curves of halogen molecule ion-pair states
Author: Wilson, Philip John
Awarding Body: University of Edinburgh
Current Institution: University of Edinburgh
Date of Award: 1994
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The double resonance ionisation nozzle cooled spectroscopy technique (DRINCS) has been used to extend the existing vibrational constants for some ion-pair states of I2 and IC1. Some new ion-pair states of IC1 have also been observed. Some ion-pair potential energy curves beyond the previously existing RKR potentials have been generated using only the vibrational Dunham coefficients and the known asymptotic behaviour of the Coulombic branch of the potentials of I2. These potentials have been used to simulate the DRINCS spectra. The lifetime of the f'(v'=0) ion-pair state of I2 has been determined as 142±6 ns. The electronic transition dipole moment function has been calculated by simulation of the dispersed fluorescence from the (v'=11) level of the f' ion-pair state. Numerical modelling techniques have been used to simulate the vibronic coupling between an ion-pair and Rydberg state of I2. A theoretical study of some Rydberg and ion-pair electronic states of the H2...HF cluster have been carried out using ab initio calculations. In addition, some states of the (H2...HF)+ cation have been investigated.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available