Problems, Problems, Problems: The Long Journey Of Phenyl Acetate

Nguyen, Ha Vinh Lam

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https://hdl.handle.net/2142/116614 Copy

Description

Title

Problems, Problems, Problems: The Long Journey Of Phenyl Acetate

Author(s)

Nguyen, Ha Vinh Lam

Contributor(s)

• Caminati, Walther
• Melandri, Sonia
• Maris, Assimo
• Evangelisti, Luca
• Stahl, Wolfgang
• Ferres, Lynn

Issue Date

2022-06-20

Keyword(s)

Plenary

Abstract

The rotational spectrum of phenyl acetate, CH$_{3}$COOC$_{6}$H$_{5}$, was measured using a free jet absorption millimeterwave spectrometer in the range from 60 to 78 GHz and two pulsed jet Fourier transform microwave spectrometers covering a total frequency range from 2 to 26.5 GHz. The features of two coupled large amplitude motions, the methyl group internal rotation and the skeletal torsion tunneling of the CH$_{3}$CO group with respect to the phenyl ring C$_{6}$H$_{5}$ (tilted of about $70^{\circ}$), characterize the spectrum. The vibrational ground state splits into four widely spaced sublevels, labeled as A0, E0, A1, and E1, each of them with its set of rotational transitions, and with additional interstate transitions. A global fit of the line frequencies of the four sublevels leads to the determination of 40 spectroscopic parameters, including the $\Delta$\emph{E}$_{A0/A1}$ and $\Delta$\emph{E}$_{E0/E1}$ vibrational splittings of about 36.4 GHz and 34.0 GHz, respectively. These parameters were used to deduce the \emph{V}$_{3}$ barrier to methyl internal rotation (about 136 \wn) and the skeletal torsion \emph{B}$_{2}$ barrier to orthogonality of the two planes (about 68 \wn).

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116614

DOI

https://doi.org/10.15278/isms.2022.MA05

Copyright and License Information

Copyright 2022 held by the authors

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