ROTATIONAL SPECTROSCOPY OF THE METHYL GLYCIDATE-WATER COMPLEX

Xu, Yunjie

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https://hdl.handle.net/2142/97115 Copy

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

6/21/2017

Keyword(s)

Mini-symposium: 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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/97115

DOI

10.15278/isms.2017.WG03

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