5951-19-9Relevant academic research and scientific papers
FTIR studies of O(3P) atom reactions with CSe2, SCSe, and OCSe
Li, Shuping,Chwee, Tsz Sian,Fan, Wai Yip
, p. 11815 - 11822 (2008/10/09)
The overall rate coefficients of the reactions of CSe2, SCSe, and OCSe with O(3P) atom have been determined to be kCSe2 = (1.4 ± 0.2) × 10-10 cm3 molecule-1 s-1, kSCSe = (2.8 ± 0.3) × 10-11 cm3 molecule-1 s-1, and kOCSe = (2-4 ± 0.3) × 10-11 cm3 molecule -1 s-1 at 301-303 K using Fourier transform infrared (FTIR) absorption spectroscopy. The measurements have been accomplished by calibrating against the literature value of the rate coefficient for O( 3P) with CS2 (4 × 10-12 cm3 molecule-1s-1). A product channel giving OCSe in 32.0 ± 4.2% yield has been found for the O + CSe2 reaction. Although CO was also detected, its generation could be attributed to subsequent reactions of OCSe with O atoms. The corresponding reaction for O + SCSe gives OCS and OCSe as observable products, with their yields given as 32.2 ± 4.5 and 30.2 ± 3.3%, respectively. Computational studies using UB3LYP/aug-cc-PVTZ methods have been used particularly to determine the reaction pathways for the channels in which OCS or OCSe is produced.
