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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
Subject(s):Structure determination
Abstract:The rotational spectra of the singly-substituted $^{13}$C 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., H$_2$C$_3$S) and radicals (e.g., HCCS, HC$_3$S, and C$_4$S). The experiments were carried out with precursors enriched in $^{13}$C, either H$^{13}$C$^{13}$CH or $^{13}$CS$_2$. From the $^{13}$C hyperfine coupling constants, the unpaired electronic density along the chain can be quantified for the radical species, while precise experimental structures ($r_0$) can be derived for each molecule by a least-squares fit to the rotational constants. The use of $^{13}$CS$_2$ in particular provides clues as to the dominant formation pathway for each chain in our discharge nozzle. Somewhat surprisingly, the $^{13}$C 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.
Issue Date:06/18/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100828
DOI:10.15278/isms.2018.ML07
Other Identifier(s):ML07
Date Available in IDEALS:2018-08-17
2018-12-12


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