Carbon-13 studies of sulfur-terminated carbon chains: Chemical bonding, molecular structures and formation pathways
McCarthy, Michael C.
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https://hdl.handle.net/2142/100828
Description
Title
Carbon-13 studies of sulfur-terminated carbon chains: Chemical bonding, molecular structures and formation pathways
Author(s)
McCarthy, Michael C.
Contributor(s)
Lee, Kelvin
Issue Date
2018-06-18
Keyword(s)
Structure determination
Abstract
The rotational spectra of the singly-substituted 13C isotopic species of a number of sulfur-terminated carbon chains have been detected between 5 and 40 GHz using a supersonic jet in combination with a cavity Fourier transform microwave spectrometer. The chains include both closed-shell molecules (e.g., H2C3S) and radicals (e.g., HCCS, HC3S, and C4S). The experiments were carried out with precursors enriched in 13C, either H13C 13CH or 13CS2. From the 13C hyperfine coupling constants, the unpaired electronic density along the chain can be quantified for the radical species, while precise experimental structures (r0) can be derived for each molecule by a least-squares fit to the rotational constants. The use of 13CS2 in particular provides clues as to the dominant formation pathway for each chain in our discharge nozzle. Somewhat surprisingly, the 13C from this precursor appears to be substituted in one of three distinct ways: random, a specific C site, or not at all. This propensity appears to be molecule specific, implying that both neutral-radical and radical-radical reactions are important.
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