Molecular xhyphen;ray spectra: Shyphen;Kbgr; emission andKabsorption spectra of thiophene

摘要

The high resolution sulfurKbgr; emission in fluorescence and sulfurKabsorption of thiophene (C4H4S) were measured with a double crystal spectrometer. The sulfurKbgr; emission spectrum was analyzed by comparison with complementary spectral data and with MNDO andabinitio(STOhyphen;3G) MO calculations. A tentative assignment of the prominent features in the absorption spectrum was made using MO calculations as a guide. In addition the sulfurLII,IIIemission spectrum was reinterpreted. The sulfur 1sbinding energy of thiophene was estimated as 2477.6 eV.