## Files in this item

FilesDescriptionFormat

application/pdf

4987.pdf (27kB)
(no description provided)PDF

## Description

 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 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$^{\circ}$. Issue Date: 2021-06-25 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/111386 Date Available in IDEALS: 2021-09-24
﻿