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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):Tarabukin, Ivan
Contributor(s):van der Avoird, Ad; Loreau, Jerome; Schnell, Melanie; Perez, Cristobal; Surin, Leonid
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$^{\circ}$.
Issue Date:2021-06-25
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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