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Vibrational energy relaxation of the OH-stretch in methanol and HOD

Hoeve, G.J. (2014) Vibrational energy relaxation of the OH-stretch in methanol and HOD. Master's Thesis / Essay, Physics.

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Abstract

The vibrational dynamics of the OH-stretch vibration are investigated by a combined theoretical and experimental approach. We try to develop a model for the OH-stretch relaxation by use of the surface hopping method. Most attention is being paid to the relaxation in diluted HOD in D2O. We look for signatures of the 'hot ground state' in the 2D spectrum, a result of local heating upon relaxation. Our findings indicate that this is in principle possible in this system with a surface hopping model, but the simple model in this work turns out to insufficient. The outcome is compared with 2D-spectra obtained by real-life experiments on this system. Furthermore the temperature dependent linear spectra and vibrational relaxation of the same mode in diluted methanol in partly deuterated methanol (CH3OD) is studied by the use of pump-probe experiments. We find blueshift of 0.7 cm-1K-1 of the OH-stretch peak in the first experiment, and a relaxation time of 0.6 ps in the pump-probe measurements.

Item Type: Thesis (Master's Thesis / Essay)
Degree programme: Physics
Thesis type: Master's Thesis / Essay
Language: English
Date Deposited: 15 Feb 2018 07:56
Last Modified: 15 Feb 2018 07:56
URI: http://fse.studenttheses.ub.rug.nl/id/eprint/11590

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