The 130-360 Ghz Rotational Spectrum Of The Chlorine Isotopologues Of Chlorobenzene And Its Excited Vibrational States

Dorman, P. Matisha

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https://hdl.handle.net/2142/111028 Copy

Description

Title

The 130-360 Ghz Rotational Spectrum Of The Chlorine Isotopologues Of Chlorobenzene And Its Excited Vibrational States

Author(s)

Dorman, P. Matisha

Contributor(s)

• McMahon, Robert J.
• Woods, R. Claude
• Esselman, Brian J.

Issue Date

2021-06-24

Keyword(s)

Rotational structure/frequencies

Abstract

We collected the rotational spectrum of chlorobenzene (\chem{C_6H_5Cl}, $\mu$ = 1.7117(14) D) in the frequency range of 130 – 360 GHz. For the [$^{35}$Cl]- and [$^{37}$Cl]- isotopologues, the ground states and a total of at least 15 excited vibrational states have been analyzed and fit as distorted rotors to sextic, A-reduced Hamiltonians with low-errors ($\sigma_{fit} <$ 50 kHz). This analysis allowed for precise determination of the vibration-rotation interaction constants for each vibrationally excited state and demonstrated these constants are in quite close agreement with their predicted (B3LYP/6-311+G(2d,p)) values. For the lowest-energy vibrational states, transitions with high $K_a$ and low $J$ include hyperfine-resolved transitions of sufficient intensity to determine the quadrupole coupling constants. These data provide an exhaustive analysis of all accessible vibrational states in our frequency region and expand upon previously measured microwave transitions of chlorobenzene.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111028

DOI

10.15278/isms.2021.RA01

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