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Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile

[Image: see text] The rotational spectrum of 4-aminobenzonitrile in the gas phase between 2 and 8.5 GHz is reported. Due to the two chemically distinct nitrogen atoms, the observed transitions showed a rich hyperfine structure. From the determination of the nuclear quadrupole coupling constants, inf...

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Autores principales: Betz, Thomas, Zinn, Sabrina, Graneek, Jack B., Schnell, Melanie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4106272/
https://www.ncbi.nlm.nih.gov/pubmed/24911139
http://dx.doi.org/10.1021/jp410964w
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author Betz, Thomas
Zinn, Sabrina
Graneek, Jack B.
Schnell, Melanie
author_facet Betz, Thomas
Zinn, Sabrina
Graneek, Jack B.
Schnell, Melanie
author_sort Betz, Thomas
collection PubMed
description [Image: see text] The rotational spectrum of 4-aminobenzonitrile in the gas phase between 2 and 8.5 GHz is reported. Due to the two chemically distinct nitrogen atoms, the observed transitions showed a rich hyperfine structure. From the determination of the nuclear quadrupole coupling constants, information about the electronic environment of these atoms could be inferred. The results are compared to data for related molecules, especially with respect to the absence of dual fluorescence in 4-aminobenzonitrile. In addition, the two-photon ionization spectrum of this molecule was recorded using a time-of-flight mass spectrometer integrated into the setup. This new experimental apparatus is presented here for the first time.
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spelling pubmed-41062722014-07-24 Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile Betz, Thomas Zinn, Sabrina Graneek, Jack B. Schnell, Melanie J Phys Chem A [Image: see text] The rotational spectrum of 4-aminobenzonitrile in the gas phase between 2 and 8.5 GHz is reported. Due to the two chemically distinct nitrogen atoms, the observed transitions showed a rich hyperfine structure. From the determination of the nuclear quadrupole coupling constants, information about the electronic environment of these atoms could be inferred. The results are compared to data for related molecules, especially with respect to the absence of dual fluorescence in 4-aminobenzonitrile. In addition, the two-photon ionization spectrum of this molecule was recorded using a time-of-flight mass spectrometer integrated into the setup. This new experimental apparatus is presented here for the first time. American Chemical Society 2014-06-09 2014-07-17 /pmc/articles/PMC4106272/ /pubmed/24911139 http://dx.doi.org/10.1021/jp410964w Text en Copyright © 2014 American Chemical Society Terms of Use CC-BY (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html)
spellingShingle Betz, Thomas
Zinn, Sabrina
Graneek, Jack B.
Schnell, Melanie
Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title_full Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title_fullStr Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title_full_unstemmed Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title_short Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile
title_sort nuclear quadrupole coupling constants of two chemically distinct nitrogen atoms in 4-aminobenzonitrile
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4106272/
https://www.ncbi.nlm.nih.gov/pubmed/24911139
http://dx.doi.org/10.1021/jp410964w
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