University of Illinois Urbana-Champaign

OBSERVATION OF THE OH-C₆H₆ RADICAL COMPLEX IN AN ARGON MATRIX USING MATRIX ISOLATION INFRARED SPECTROSCOPY WITH A VACUUM ULTRAVIOLET PHOTOLYSIS SOURCE

Amicangelo, Jay C.

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6768.pdf
TI05_1.pptx

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https://hdl.handle.net/2142/122458

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Title
OBSERVATION OF THE OH-C₆H₆ RADICAL COMPLEX IN AN ARGON MATRIX USING MATRIX ISOLATION INFRARED SPECTROSCOPY WITH A VACUUM ULTRAVIOLET PHOTOLYSIS SOURCE
Author(s)
Amicangelo, Jay C.
Contributor(s)
  • Johnson, Dylan
  • Jones, Tracy
  • Kaiser, Catherine
Issue Date
2023-06-20
Keyword(s)
Radicals
Abstract
Utilizing matrix isolation infrared spectroscopy with a vacuum ultraviolet (VUV) photolysis source (121 nm), a 1:1 complex of the hydroxyl radical (OH) with benzene (C₆H₆) was observed in low temperature argon matrices. Co-deposition experiments with simultaneous VUV photolysis of H₂O and C₆H₆ mixtures were conducted in an argon matrix at 15 K. The OH stretching peak for the OH-C₆H₆ complex was observed at 3502.3 cm−¹. Identification of the observed peak of the OH-C₆H₆ complex was established by performing experiments with varying concentrations of the H₂O and C₆H₆ relative to the argon matrix, comparing the co-deposition spectra to the individual monomer spectra of H₂O and C₆H₆ in argon matrices both with and without VUV photolysis, as well as matrix annealing experiments (30 - 35 K). Experiments were also performed using the D₂O isotopomer and the OD stretching peak for the OD-C₆H₆ complex was observed at 2584.1 cm−¹. Quantum chemical calculations were performed at the MP2, M06-2X, and ωB97X-D levels of theory with the aug-cc-pVDZ basis set to obtain the optimized geometry and simulated infrared spectrum for the OH-C₆H₆ complex. The observed OH and OD stretching peaks of the OH(D)-C₆H₆ radical complexes observed in argon matrices in the current experiments are in good agreement with the values previously reported in argon matrices using a different production method.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122458
DOI
https://doi.org/10.15278/isms.2023.6768

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Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY