2014
DOI: 10.1021/jp505766f
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Long-Range Chemical Sensitivity in the Sulfur K-Edge X-ray Absorption Spectra of Substituted Thiophenes

Abstract: Thiophenes are the simplest aromatic sulfur-containing compounds and are stable and widespread in fossil fuels. Regulation of sulfur levels in fuels and emissions has become and continues to be ever more stringent as part of governments’ efforts to address negative environmental impacts of sulfur dioxide. In turn, more effective removal methods are continually being sought. In a chemical sense, thiophenes are somewhat obdurate and hence their removal from fossil fuels poses problems for the industrial chemist.… Show more

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Cited by 33 publications
(46 citation statements)
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“…This is a well establish assignment corroborated by resonant Auger spectroscopy (RAS) tuned around S 1s edge for polythiophene 45,46 and also by recent theoretical calculations. 49 Due to the overwhelming experimental resolution after close inspection of the NEXAFS spectrum of Fig. 1a it is possible to identify a shoulder at the low photon energy side, corresponding to the π* symmetry state due to strong π–π interchain interaction.…”
Section: Resultsmentioning
confidence: 99%
“…This is a well establish assignment corroborated by resonant Auger spectroscopy (RAS) tuned around S 1s edge for polythiophene 45,46 and also by recent theoretical calculations. 49 Due to the overwhelming experimental resolution after close inspection of the NEXAFS spectrum of Fig. 1a it is possible to identify a shoulder at the low photon energy side, corresponding to the π* symmetry state due to strong π–π interchain interaction.…”
Section: Resultsmentioning
confidence: 99%
“…40,45 Shoulders and multiple peaks have been shown to indicate multiple types of substituents for atoms near sulfur and also contributions among multiple orbitals to the near edge absorbance. 29 The significant overlaps in peak position among the sulfone, sulfonate, and sulfonic acid model compounds do not pose a problem for data interpretation below because significant features at these energies were not found in the asphalt samples.…”
Section: Resultsmentioning
confidence: 99%
“…Slightly different results would be expected if alternate sulfide or thiophene model compounds were employed, with general fitting trends being similar. 29 Changes in the amounts of low-concentration species are more significant than shifts by the same absolute amount for highconcentration species such as thiophenes.…”
Section: Resultsmentioning
confidence: 99%
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“…Functional group Oxidation state (Waldo et al 1991;Xia et al 1998;Vairavamurthy 1998) (George et al 2014;Pickering et al 2016;Cotelesage et al 2017).…”
Section: Compoundmentioning
confidence: 99%