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THE CHALCOGEN-BONDED COMPLEX H3N...S=C=S CHARACTERIZED BY CHIRPED-PULSE BROADBAND MICROWAVE SPECTROSCOPY
Gougoula, Eva
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https://hdl.handle.net/2142/104268
Description
- 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
- Issue Date
- 2019-06-17
- Keyword(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).
- Publisher
- International Symposium on Molecular Spectroscopy
- Type of Resource
- text
- Language
- English
- Permalink
- http://hdl.handle.net/2142/104268
- DOI
- 10.15278/isms.2019.MH07
- Copyright and License Information
- Copyright 2019 Eva Gougoula
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