The Microwave Spectrum Of 2-chloroethyl Radical, Ch₂clch₂

Carrillo, Michael J.

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https://hdl.handle.net/2142/111373 Copy

Description

Title

The Microwave Spectrum Of 2-chloroethyl Radical, Ch₂clch₂

Author(s)

Carrillo, Michael J.

Contributor(s)

• Endo, Yasuki
• Lin, Wei

Issue Date

2021-06-24

Keyword(s)

Atmospheric science

Abstract

The pure rotational spectrum of 2-chloroethyl radical, CH$_{2}$ClCH$_{2}$, has been observed for the first time using a cavity-based Fourier-transform microwave spectrometer in the frequency region of 10 GHz – 34 GHz. The radical was generated through electric discharge by applying a 1 kV voltage to the precursor molecule of either 1, 2-dichloroethane, CH$_{2}$ClCH$_{2}$Cl, or 1-chloro,2-iodoethane, CH$_{2}$ClCH$_{2}$I, where the latter gave 2-3 times stronger signal. Nine rotational transitions, both a-type and b-type, have been measured with resolved fine and hyperfine components for both $^{35}$Cl and $^{37}$Cl isotopic species in the ground vibrational state. The spectrum is highly congested due to the interactions of the electron spin, nuclear spin of chlorine atom, and nuclear spins of four hydrogen atoms. To aid in our analysis of the spectrum, we performed CCSD(T) calculation on the geometry optimization of the radical and a single point calculation at MP2 level to obtain the fine and hyperfine constants. We will present and discuss the corresponding assignments of features in the spectrum.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111373

DOI

10.15278/isms.2021.RE05

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