title: FTIR studies of O(3P) atom reactions with CSe2, SCSe, and OCSe.
abstract: The overall rate coefficients of the reactions of CSe2, SCSe, and OCSe with O(3P) atom have been determined to be k(CSe2) = (1.4 +/- 0.2) x 10(-10) cm3 molecule(-1) s(-1), k(SCSe) = (2.8 +/- 0.3) x 10(-11) cm3 molecule(-1) s(-1), and k(OCSe) = (2.4 +/- 0.3) x 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 x 10(-12) cm3 molecule(-1) s(-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.
authors.affiliation: Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543.
authors.forename: Shuping
authors.initials: S
authors.lastname: Li
authors.forename: Tsz Sian
authors.initials: TS
authors.lastname: Chwee
authors.forename: Wai Yip
authors.initials: WY
authors.lastname: Fan