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Title: Non-adiabatic effects in transition metal complexes
Author: Keane, Theo
ISNI:       0000 0004 5993 246X
Awarding Body: University of Sheffield
Current Institution: University of Sheffield
Date of Award: 2016
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Electron transfer (ET) is a fundamental process that underpins a vast array of science and technology. Recent experiments (Delor et al., Science, 2014, 346, 1492 and Delor et al., Nature Chem., 2015, 7, 689.) have demonstrated that excited state ET may be manipulated using selective vibrational excitation on an ultrafast (~fs) timescale. This work seeks to identify the underlying mechanisms behind the "vibrational control" phenomenon observed. This is achieved by means of quantum chemical calculations of the ground and excited state properties of these systems: a series of Pt(II) bis-acetylide complexes. Two mechanisms are identified that may contribute towards "vibrational control:" the presence of crossovers between the targeted electronically excited state within the energy range of vibrational excitation, resulting in selective inter-state coupling, and transient polarisation of the excited state along the vibrational coordinates which increases inter-state coupling. These proposed mechanisms could provide guidance in the design of future functional materials.
Supervisor: Meijer, Anthony J. H. M. ; Weinstein, Julia A. Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available