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 Title: BOUND STATE CALCULATIONS OF THE VAN DER WAALS NH3−Ne COMPLEX AND FIRST MICROWAVE DETECTION OF THE MISSING (para)-NH3−Ne NUCLEAR SPIN ISOMER Author(s): Surin, Leonid Contributor(s): van der Avoird, Ad ; Loreau, Jerome ; Schnell, Melanie ; Perez, Cristobal ; Tarabukin, Ivan Subject(s): Clusters/Complexes Abstract: The microwave spectrum of the NH$_{3}$$-Ne van der Waals complex has been observed in a supersonic molecular jet expansion via broadband (2-8 GHz) chirped-pulse Fourier-transform microwave spectroscopy. Together with the well-known lines related to the (ortho)-NH_{3}$$-$Ne spectrum\footnote{J. van Wijngaarden and W. Jäger, $J. Chem. Phys.$ \textbf{115}, 6504 (2001).}, new transitions were detected and attributed to the missing ($para$)-NH$_{3}$$-Ne nuclear spin isomer. The assignments were guided by the rovibrational bound state (J = 0 ... 10) calculations based on the recent ab initio NH_{3}$$-$Ne intermolecular potential surface\footnote{J. Loreau and A. van der Avoird, $J. Chem. Phys.$ \textbf{143}, 184303 (2015).}. The hyperfine structure arising from quadrupole ${^1}$${^4}N nucleus of NH_{3}$$-$Ne was resolved, and the quadrupole coupling constant associated with the ($para$)-NH$_{3}$ subunit was precisely determined. This constant provided the dynamical information about the angular orientation of ammonia indicating that the average angle between the $C$$_{3} axis of NH_{3} and intermolecular axis is about 68^{\circ}. Similar results for the deuterated isotopologue, ND_{3}$$-$Ne, were also obtained thus confirming and extending the analysis for the parent NH$_{3}$$-$Ne complex. Issue Date: 24-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107459 Date Available in IDEALS: 2020-06-26
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