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Title: Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex

Abstract

We report the first high resolution spectroscopic study of the NH{sub 3}–H{sub 2} van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH{sub 3}–H{sub 2} in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, ( o )-NH{sub 3}–( o )-H{sub 2} and ( p )-NH{sub 3}–( o )-H{sub 2}, have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH{sub 3}–H{sub 2} PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.

Authors:
;  [1];  [2]; ;  [3];  [4];  [5]
  1. I. Physikalisches Institut, University of Cologne, Zülpicher Str. 77, D-50937 Cologne (Germany)
  2. Institute of Spectroscopy of Russian Academy of Sciences, Fizicheskaya Str. 5, 108840 Troitsk, Moscow, Russia (Russian Federation)
  3. Institute of Physics, University of Kassel, Heinrich-Plett-Str. 40, D-34132 Kassel (Germany)
  4. Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)
  5. Theoretical Chemistry, Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen (Netherlands)
Publication Date:
OSTI Identifier:
22661251
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astrophysical Journal; Journal Volume: 838; Journal Issue: 1; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; AMMONIA; BOUND STATE; COMPUTERIZED SIMULATION; DE-EXCITATION; EXCITATION; FOURIER TRANSFORMATION; GHZ RANGE; HYDROGEN; MICROWAVE RADIATION; MOLECULES; RESOLUTION; SPECTRA; SPECTROMETERS; SPECTROSCOPY; SPIN; SURFACES; VAN DER WAALS FORCES

Citation Formats

Surin, L. A., Schlemmer, S., Tarabukin, I. V., Breier, A. A., Giesen, T. F., McCarthy, M. C., and Avoird, A. van der, E-mail: surin@ph1.uni-koeln.de, E-mail: A.vanderAvoird@theochem.ru.nl. Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex. United States: N. p., 2017. Web. doi:10.3847/1538-4357/AA615A.
Surin, L. A., Schlemmer, S., Tarabukin, I. V., Breier, A. A., Giesen, T. F., McCarthy, M. C., & Avoird, A. van der, E-mail: surin@ph1.uni-koeln.de, E-mail: A.vanderAvoird@theochem.ru.nl. Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex. United States. doi:10.3847/1538-4357/AA615A.
Surin, L. A., Schlemmer, S., Tarabukin, I. V., Breier, A. A., Giesen, T. F., McCarthy, M. C., and Avoird, A. van der, E-mail: surin@ph1.uni-koeln.de, E-mail: A.vanderAvoird@theochem.ru.nl. Mon . "Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex". United States. doi:10.3847/1538-4357/AA615A.
@article{osti_22661251,
title = {Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex},
author = {Surin, L. A. and Schlemmer, S. and Tarabukin, I. V. and Breier, A. A. and Giesen, T. F. and McCarthy, M. C. and Avoird, A. van der, E-mail: surin@ph1.uni-koeln.de, E-mail: A.vanderAvoird@theochem.ru.nl},
abstractNote = {We report the first high resolution spectroscopic study of the NH{sub 3}–H{sub 2} van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH{sub 3}–H{sub 2} in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, ( o )-NH{sub 3}–( o )-H{sub 2} and ( p )-NH{sub 3}–( o )-H{sub 2}, have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH{sub 3}–H{sub 2} PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.},
doi = {10.3847/1538-4357/AA615A},
journal = {Astrophysical Journal},
number = 1,
volume = 838,
place = {United States},
year = {Mon Mar 20 00:00:00 EDT 2017},
month = {Mon Mar 20 00:00:00 EDT 2017}
}