Schwingungsdynamik in O−H···O-verbrückten Aggregaten: FTIR-Spektroskopie vom Nah- bis zum Ferninfraroten

Vibrational dynamics in O–H···O connected aggregates: FTIR spectroscopy from the near to the far infrared

by Franz Kollipost
Doctoral thesis
Date of Examination:2015-06-08
Date of issue:2015-10-13
Advisor:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Ricardo Mata
Persistent Address: http://dx.doi.org/10.53846/goediss-5302

 

 

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Abstract

English

This work focuses on the vibrational dynamics of molecular clusters featuring intermolecular O–H···O hydrogen bonds. For this purpose the clusters are generated in supersonic jet expansions and probed via FTIR spectroscopy in different spectral regions. The dimers of simple diols are characterized in the O–H stretching region. The O–H stretching overtones of the dimers of methanol, ethanol, tert-butyl alcohol and hexafluoroisopropanol are observed in the near infrared and anharmonicity constants are deduced. The librational vibration of the O–H group can be found in the far infrared and is observed for clusters of methanol, tert-butyl alcohol, trifluoroethanol and methyl lactate and partly for their deuterated isotopologues. The cold absorption spectrum of formic acid dimer and its deuterated isotopologues is characterized in the region from 200 to 1900 cm-1. Fundamental transitions and some combination tones are assigned for the species.
Keywords: supersonic expansions; FTIR spectroscopy; hydrogen bonding; clusters; librations; alcohol dimers; formic acid dimer
 
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