Rotational spectroscopy of the methyl glycidate-water complex
Xu, Yunjie
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https://hdl.handle.net/2142/97115
Description
Title
Rotational spectroscopy of the methyl glycidate-water complex
Author(s)
Xu, Yunjie
Contributor(s)
Jäger, Wolfgang
Wang, Zhibo
Thomas, Javix
Gall, Jason
Issue Date
2017-06-21
Keyword(s)
Chirality-sensitive spectroscopy
Abstract
Many biologically important molecules are chiral and perform their biological functions in an aqueous medium. In this study, we investigate the intermolecular interactions of methyl glycidate, a chiral epoxy ester, with water using rotational spectroscopy. We examine the competition among the three hydrogen-bond acceptor sites at methyl glycidate: the epoxy oxygen, the carbonyl oxygen, and the ester oxygen when interacting with water. We also probe how interaction with water modifies the methyl internal rotation barriers and conformational distribution of methyl glycidate. The possible large amplitude and tunnelling motions associated with water are investigated and analyzed.
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