WATER BINDING TO KETONES: CYCLOOCTANONE···(H₂O)₃−₇ COMPLEXES

Tsoi, Valerie W. Y.

Permalink

https://hdl.handle.net/2142/122393 Copy

Description

Title

WATER BINDING TO KETONES: CYCLOOCTANONE···(H₂O)₃−₇ COMPLEXES

Author(s)

Tsoi, Valerie W. Y.

Contributor(s)

• Sanz, M. Eugenia
• Burevschi, Ecaterina

Issue Date

2023-06-23

Keyword(s)

Non-covalent interactions

Abstract

Understanding the first interaction stages of water with organic molecules is of great interest given the ubiquity of water in nature. Here we explore the microsolvation of the eight-membered cyclic ketone cyclooctanone (CYO) using chirped pulse Fourier transform microwave spectroscopy. We previously assigned three conformers of CYO monomer and complexes of CYO· · ·(H₂O)₁,₂[1,2]. Cyclooctanone hydrates with higher number of water molecules, CYO· · ·(H₂O)₃−₇, have now been observed and identified with the aid of ab initio and DFT methods. Most of the complexes show several ar- rangements, highlighting the versatility of water molecules in their interactions with an organic solute. Binding preferences and relevant interactions will be discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122393

DOI

https://doi.org/10.15278/isms.2023.6947

Owning Collections