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Title:THE CHALCOGEN-BONDED COMPLEX H3N...S=C=S CHARACTERIZED BY CHIRPED-PULSE BROADBAND MICROWAVE SPECTROSCOPY
Author(s):Gougoula, Eva
Contributor(s):Legon, Anthony ; Walker, Nick ; Alkorta, Ibon ; Medcraft, Chris
Subject(s):Mini-symposium: Non-covalent Interactions
Abstract:Ground-state rotational spectra were observed for a complex of ammonia and carbon disulphide in the 2.0-18.0 GHz frequency range by Chirped Pulse Fourier Transform Microwave Spectroscopy. The complex was generated through supersonic expansion of a dilute mixture of NH$_{3}$ (1\%) and CS$_{2}$ (1\%) in argon. Ten symmetric-top and four asymmetric-top isotoplogues of H$_{3}$N$^{...}$CS$_{2}$ were isolated while using samples either in natural isotopic abundance or with isotopically enriched 15NH$_{3}$ or ND$_{3}$. The complex has C$_{3v}$ symmetry, with the connectivity of the atoms being H$_{3}$N$^{...}$S=C=S, thereby establishing that the non-covalent interaction is a chalcogen bond involving the non-bonding electron pair of NH$_{3}$ as the nucleophile and the axial region of one of the S atoms of CS$_{2}$ as the electrophile. It is assumed that the subunit geometries are unchanged upon complex formation which is consistent with small values determined for the intermolecular force constant (k$\sigma$). A simple model was used to account for the contribution of the subunit angular oscillations to the zero-point motions and thus obtain the intermolecular bond length, r(N$^{...}$ S).
Issue Date:2019-06-17
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104268
DOI:10.15278/isms.2019.MH07
Rights Information:Copyright 2019 Eva Gougoula
Date Available in IDEALS:2019-07-15
2020-01-25


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