IR-Untersuchung von schwach gebundenen Molekülaggregaten im Überschallstrahl

IR investigation of weakly bound molecular clusters in the supersonic jet

by Hannes Christian Gottschalk
Doctoral thesis
Date of Examination:2020-09-29
Date of issue:2020-11-16
Advisor:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Ricardo A. Mata
Referee:Prof. Dr. Burkhard Geil
Referee:Dr. Sebastian Kruss
Referee:Dr. Tim Schäfer
Referee:Prof. Dr. Dirk Schwarzer
Persistent Address: http://dx.doi.org/10.53846/goediss-8308

 

 

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Abstract

English

Quantum chemical methods can be benchmarked by investigating cold and isolated molecular clusters in supersonic expansions via FTIR spectroscopy. The long absorption path necessary for sufficient intensity leads to a high substance consumption. To tackle this issue, a new jet FTIR setup is introduced, reducing substance consumption by up to two orders of magnitude.
Keywords: vibrational spectroscopy; intermolecular interactions; hydrogen bonding; London dispersion; molecular clusters; supersonic expansions; quantum chemistry; benchmarking
Schlagwörter: Schwingungsspektroskopie; Intermolekulare Wechselwirkungen; Wasserstoffbrückenbindungen; London'sche Dispersion; Molekülaggregate; Überschallexpansionen; Quantenchemie; Benchmarking
 
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