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  Microwave spectra and nuclear quadrupole structure of the NH3–N2 van der Waals complex and its deuterated isotopologues

Surin, L., Tarabukin, I., Pérez, C., & Schnell, M. (2018). Microwave spectra and nuclear quadrupole structure of the NH3–N2 van der Waals complex and its deuterated isotopologues. The Journal of Chemical Physics, 149(22): 224305. doi:10.1063/1.5063346.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-B801-D Version Permalink: http://hdl.handle.net/21.11116/0000-0002-B809-5
Genre: Journal Article

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https://dx.doi.org/10.1063/1.5063346 (Publisher version)
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 Creators:
Surin, L.1, 2, Author
Tarabukin, I.1, Author
Pérez, C.3, 4, 5, 6, Author              
Schnell, M.4, Author              
Affiliations:
1Institute of Spectroscopy of RAS, ou_persistent22              
2Moscow Institute of Physics and Technology, ou_persistent22              
3Deutsches Elektronen-Synchrotron DESY, ou_persistent22              
4Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
5Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV-EHU), ou_persistent22              
6Ikerbasque, Basque Foundation for Science, ou_persistent22              

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 Abstract: The microwave spectrum of the NH3–N2 van der Waals complex has been observed in a supersonic molecular jet expansion via broadband (2-8 GHz) chirped-pulse Fourier-transform microwave spectroscopy. Two pure rotational R(0) transitions (J = 1 − 0) with different hyperfine structure patterns were detected. One transition belongs to the (ortho)-NH3–(ortho)-N2 nuclear spin isomer in the ground K = 0 state reported earlier [G. T. Fraser et al., J. Chem. Phys. 84, 2472 (1986)], while another one is assigned to the (para)-NH3–(para)-N2 spin isomer in the K = 0 state not reported before (K is the projection of the total angular momentum J on the intermolecular axis). The complicated hyperfine structure arising from three quadrupole 14N nuclei of NH3–N2 was resolved for both transitions, and the quadrupole coupling constants associated with the NH3 and N2 subunits were precisely determined for the first time. These constants provided the dynamical information about the angular orientation of ammonia and nitrogen indicating that the average angle between the C3 axis of NH3 and the N2 axis is about 66°. The average van der Waals bond lengths are slightly different for (ortho)-NH3–(ortho)-N2 and (para)-NH3–(para)-N2 and amount to 3.678 Å and 3.732 Å, respectively. Similar results for the deuterated isotopologues, ND3–N2, NHD2–N2, and NH2D–N2, and their nuclear spin isomers were also obtained thus confirming and extending the analysis for the parent NH3–N2 complex.

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Language(s): eng - English
 Dates: 2018-09-262018-11-262018-12-132018-12-14
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1063/1.5063346
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Project name : This work was partly supported by the Deutsche Forschungsgemeinschaft (DFG) via Grant No. SCHN1280/5- 1 as well as the ERC Starting grant ASTROROT via Grant No. 638027. The results of Sec. IV have been obtained under support of the Russian Science Foundation through Grant No. 17-12-01395.
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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 149 (22) Sequence Number: 224305 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226