HYDRATION OF AN ACID ANHYDRIDE: THE WATER COMPLEX OF ACETIC SULFURIC ANHYDRIDE

Smith, CJ

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https://hdl.handle.net/2142/96913 Copy

Description

Title

HYDRATION OF AN ACID ANHYDRIDE: THE WATER COMPLEX OF ACETIC SULFURIC ANHYDRIDE

Author(s)

Smith, CJ

Contributor(s)

• Leopold, Ken
• Mackenzie, Becca
• Huff, Anna

Issue Date

6/21/2017

Keyword(s)

Clusters/Complexes

Abstract

The water complex of acetic sulfuric anhydride (ASA, CH$_{3}$COOSO$_{2}$OH) has been observed by pulsed nozzle Fourier transform microwave spectroscopy. ASA is formed in situ in the supersonic jet via the reaction of SO$_{3}$ and acetic acid and subsequently forms a complex with water during the expansion. Spectra of the parent and fully deuterated form, as well as those of the species derived from CH$_{3}$$^{13}$COOH, have been observed. The fitted internal rotation barrier of the methyl group is 219.599(21), wn indicating the complexation with water lowers the internal rotation barrier of the methyl group by 9% relative to that of free ASA. The observed species is one of several isomers identified theoretically in which the water inserts into the intramolecular hydrogen bond of the ASA. Aspects of the intermolecular potential energy surface are discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/96913

DOI

10.15278/isms.2017.WD08

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