IR SPECTRA OF BENZOIC ACID-WATER CLUSTERS IN A SUPERSONIC JET USING VUV IONIZATION DETECTION

Huang, Chia-I

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https://hdl.handle.net/2142/122493 Copy

Description

Title

IR SPECTRA OF BENZOIC ACID-WATER CLUSTERS IN A SUPERSONIC JET USING VUV IONIZATION DETECTION

Author(s)

Huang, Chia-I

Contributor(s)

• Ebata, Takayuki
• Lee, Yuan-Pern
• Feng, Jun-Ying

Issue Date

2023-06-20

Keyword(s)

Clusters/Complexes

Abstract

Hydrogen bonding (H-bonding) of aromatic clusters in dilute aqueous solutions has been a subject of great interest in recent years. In the present work, we investigated the hydrogen-bonded structures of jet-cooled benzoic acid-water clusters, (BA)m-(H₂O)n (m, n = 1 or 2), with IR spectroscopy and quantum-chemical calculations. We measured the IR spectra of mass selected (BA)m-(H₂O)n in the C-H and O-H stretching regions by IR excitation -VUV ionization with a reflectron time-of-flight mass spectrometer (RF-TOF-MS). The IR spectrum of BA monomer was obtained by 1+1 IR-VUV photoionization technique, and those of the clusters were obtained by the depletion of the VUV-induced ion signal upon IR predissociation. The observed IR spectra were analyzed by comparison with spectra of possible structures predicted with anharmonic calculations at the B3LYP/6-311++G(d,p) level of theory. We discuss the structures of (BA)m-(H₂O)n and how the H-bonding network developed in these clusters.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122493

DOI

https://doi.org/10.15278/isms.2023.6821

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