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Title: The broadband rotational spectrum of fully deuterated acetaldehyde (CD 3CDO) in a CW supersonic expansion

Abstract

The broadband pure rotational spectra of CD 3CDO, 13CD 3CDO, CD 3 13CDO, and CD 3CD 18O have been recorded using a BrightSpec W-Band (75–110 GHz) chirped-pulse Fourier transform millimeter wave (CP-FTmmW) spectrometer. The sample was enriched with deuterium, whereas the 13C and 18O isotopologues were observed in natural abundance (with respect to the enriched fully deuterated parent containing 12C and 16O). The analysis of the spectra is described and the derived molecular constants are compared to those of known acetaldehyde isotopologues. Furthermore, we have demonstrated the ability to record rotational spectra in a steady-state “CW” supersonic expansion with a duty cycle of 80%. Finally, the advantages and limitations of the segmented chirp spectrometer coupled with a CW molecular source as well as design of the vacuum and pumping system are discussed.

Authors:
 [1];  [2];  [3];  [4];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
  2. Central China Normal Univ., Wuhan (China). College of Physical Science and Technology
  3. Univ. de Huelva, Huelva (Spain). Dept. Ciencias Integradas, Facultad de Ciencias Experimentales
  4. Universites Paris Est & Paris Diderot, Creteil cedex (France). Laboratoire Interuniversitaire des Systemes Atmospheriques (LISA)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; National Natural Science Foundation of China (NNSFC); Spanish Ministerio de Economia y Competitividad (MINECO); USDOE
OSTI Identifier:
1427542
Alternate Identifier(s):
OSTI ID: 1495570
Grant/Contract Number:  
AC02-06CH11357; 11574107
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Molecular Spectroscopy
Additional Journal Information:
Journal Volume: 342; Journal Issue: C; Journal ID: ISSN 0022-2852
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 42 ENGINEERING; Acetaldehyde; ChirpedPulse; Internal Rotation; Millimeter Wave; Rotational Spectroscopy; Supersonic Expansion

Citation Formats

Zaleski, Daniel P., Duan, Chuanxi, Carvajal, Miguel, Kleiner, Isabelle, and Prozument, Kirill. The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion. United States: N. p., 2017. Web. doi:10.1016/j.jms.2017.01.010.
Zaleski, Daniel P., Duan, Chuanxi, Carvajal, Miguel, Kleiner, Isabelle, & Prozument, Kirill. The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion. United States. doi:10.1016/j.jms.2017.01.010.
Zaleski, Daniel P., Duan, Chuanxi, Carvajal, Miguel, Kleiner, Isabelle, and Prozument, Kirill. Thu . "The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion". United States. doi:10.1016/j.jms.2017.01.010. https://www.osti.gov/servlets/purl/1427542.
@article{osti_1427542,
title = {The broadband rotational spectrum of fully deuterated acetaldehyde (CD3CDO) in a CW supersonic expansion},
author = {Zaleski, Daniel P. and Duan, Chuanxi and Carvajal, Miguel and Kleiner, Isabelle and Prozument, Kirill},
abstractNote = {The broadband pure rotational spectra of CD3CDO, 13CD3CDO, CD3 13CDO, and CD3CD18O have been recorded using a BrightSpec W-Band (75–110 GHz) chirped-pulse Fourier transform millimeter wave (CP-FTmmW) spectrometer. The sample was enriched with deuterium, whereas the 13C and 18O isotopologues were observed in natural abundance (with respect to the enriched fully deuterated parent containing 12C and 16O). The analysis of the spectra is described and the derived molecular constants are compared to those of known acetaldehyde isotopologues. Furthermore, we have demonstrated the ability to record rotational spectra in a steady-state “CW” supersonic expansion with a duty cycle of 80%. Finally, the advantages and limitations of the segmented chirp spectrometer coupled with a CW molecular source as well as design of the vacuum and pumping system are discussed.},
doi = {10.1016/j.jms.2017.01.010},
journal = {Journal of Molecular Spectroscopy},
issn = {0022-2852},
number = C,
volume = 342,
place = {United States},
year = {2017},
month = {2}
}

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