Microwave spectroscopy and structure determination of H2S − MI (M=Cu,Ag,Au)
Medcraft, Chris
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https://hdl.handle.net/2142/91238
Description
Title
Microwave spectroscopy and structure determination of H2S − MI (M=Cu,Ag,Au)
Author(s)
Medcraft, Chris
Contributor(s)
Walker, Nick
Legon, Anthony
Issue Date
2016-06-24
Keyword(s)
Chirped pulse
Abstract
A series of hydrogen sulphide-metal iodide complexes (\chem{H_2S}-MI, M$=$Cu, Ag and Au) have been measured via chirped pulse Fourier transform microwave spectroscopy between 7.5-18 GHz. The complexes were generated in a supersonic expansion via laser ablation of the metal and decomposition of CF$_3$I. Experimental structures were obtained by least squares fitting of structural parameters to the rotational constants of deuterium and metal ($^{63}$Cu / $^{65}$Cu and $^{107}$Ag / $^{109}$Ag) isotopologues. Interestingly K$_{-1}$=1 transitions were observed in the spectra containing D$_2$S, these were not observed in previous studies of similar molecules (H$_2$S-MCl). This allowed for the determination of an extra rotational constant and, consequently, extra structural information could be obtained. The structures are compared to high level coupled cluster theory calculations.
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