Measurements of deuterium quadrupole coupling in propiolic acid and fluorobenzenes using pulsed-beam Fourier transform microwave spectrometers

Ming Sun, Bryan A. Sargus, Spencer J. Carey, Stephen G Kukolich

Research output: Contribution to journalArticle

Abstract

The pure rotational spectra of deuterated propiolic acids (HCCCOOD and DCCCOOH), 1-fluorobenzene (4-d<inf>1</inf>), and 1,2-difluorobenzene (4-d<inf>1</inf>) in their ground states have been measured using two Fourier transform microwave (FTMW) spectrometers at the University of Arizona. For 1-fluorobenzene (4-d<inf>1</inf>), nine hyperfine lines of three different ΔJ = 0 and 1 transitions were measured to check the synthesis method and resolution. For 1,2-difluorobenzene (4-d<inf>1</inf>), we obtained 44 hyperfine transitions from 1 to 12 GHz, including 14 different ΔJ = 0, 1 transitions. Deuterium quadrupole coupling constants along the three principal inertia axes were well determined. For deuterated propiolic acids, 37 hyperfine lines of Pro-OD and 59 hyperfine lines of Pro-CD, covering 11 and 12 different ΔJ = - 1, 0, 1 transitions, respectively, were obtained from 5 to 16 GHz. Deuterium quadrupole coupling constants along the three inertia axes were well resolved for Pro-OD. For Pro-CD, only eQq<inf>aa</inf> was determined due to the near coincidence of the CD bond and the least principal inertia axis. Some measurements were made using a newer FTMW spectrometer employing multiple free induction decays as well as background subtraction. For 1-fluorobenzene (4-d<inf>1</inf>) and 1,2-difluorobenzene (4-d<inf>1</inf>), a very large-cavity (1.2 m mirror dia.) spectrometer yielded very high resolution (2 kHz) spectra.

Original languageEnglish (US)
Article number154306
JournalThe Journal of Chemical Physics
Volume142
Issue number15
DOIs
StatePublished - Apr 21 2015

Fingerprint

Fluorobenzenes
Microwave spectrometers
microwave spectrometers
Deuterium
deuterium
Fourier transforms
quadrupoles
inertia
acids
Ground state
Spectrometers
rotational spectra
Mirrors
subtraction
induction
coverings
spectrometers
mirrors
cavities
ground state

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Measurements of deuterium quadrupole coupling in propiolic acid and fluorobenzenes using pulsed-beam Fourier transform microwave spectrometers. / Sun, Ming; Sargus, Bryan A.; Carey, Spencer J.; Kukolich, Stephen G.

In: The Journal of Chemical Physics, Vol. 142, No. 15, 154306, 21.04.2015.

Research output: Contribution to journalArticle

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