Structure and Dynamics of Core-Excited Species

In this thesis we have performed core-electron spectroscopy studies of gas phase molecular systems starting with smaller diatomic, continuing with triatomic and extending our research to more complex polyatomic ones. We can subdivide the results presented here into two categories: the first one focusing on electronic fine structure and effect of the chemical bonds on molecular core-levels and the other one dealing with nuclear dynamics induced by creation of a core hole. In our research we have mostly used synchrotron radiation based techniques such as X-ray Photoelectron (XPS), X-ray Absorption (XAS), normal and Resonant Auger (AES and RAS, respectively) and Energy-Selected Auger Electron PhotoIon COincidence (ES-AEPICO) spectroscopies…


Part I: Conceptual Introduction
1 Populärvetenskaplig Sammanfattning
2 Introduction
2.1 Spectroscopy or science of seeing ghosts
2.2 A glance through time
3 Experimental Techniques and Instrumentation
3.1 Synchrotron radiation
3.1.1 Beamlines
3.2 Electron Spectroscopy techniques
3.2.1 UPS
3.2.2 XPS
3.2.3 AES
3.2.4 Coincidence techniques
4 Electronic Structure
4.1 From the history of atom
4.2 Molecular structure
4.3 Molecular fine structure of core levels
4.3.1 Vibrational progressions
4.3.2 Molecular field splitting
4.3.3 Parity splitting
4.4 Electronic structure from electron spectra
4.4.1 Life-time broadening of core line
4.4.2 Postcollision Interaction
4.4.3 Multiple-Curve fitting
5 Substituent Effects in Electron Spectroscopy: part 1
5.1 Hammett equation and its extended forms
5.2 C1s ionization energies and substituent effects
6 Nuclear Dynamics in Core-Excited Systems
6.1 Ultrafast dissociation
6.2 Geometry change induced by core excitation
6.3 Rearrangement induced by core excitation
7 Results and Discussion
7.1 Electronic structure of Cl2 (Paper I–Paper III)
7.1.1 Cl2p photoelectron spectra of Cl2 (Paper I)
7.1.2 Cl2p normal Auger decay spectra of Cl2 (Paper II)
7.1.3 Resonant Auger decay spectra of Cl2 (Paper III)
7.2 Relaxation dynamics of core-excited states in N2O
7.2.1 Resonant Auger decay processes in N2O after core elec-tron excitation to the 3π LUMO (Paper IV)
7.2.2 Dissociation of N2O after core electron excitation to the 3π LUMO (Paper V)
7.3 Substituent effects in electron spectroscopy: part 2 (Paper VI)
7.3.1 Resonant Auger kinetic energies and substituent effects
7.4 Nuclear dynamics in core-excited molecules
7.4.1 Core excitation and decay dynamics of allene (Paper VII)
7.4.2 Core-hole induced isomerization of acetylacetone probed
by RAS (Paper VIII)
8 Conclusions and Outlook
A Summary (in Russian)

Author: Travnikova, Oksana

Source: Uppsala University Library

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