Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp055113p
Title: FTIR studies of O(3P) atom reactions with CSe2, SCSe, and OCSe
Authors: Li, S.
Chwee, T.S.
Fan, W.Y. 
Issue Date: 29-Dec-2005
Source: Li, S., Chwee, T.S., Fan, W.Y. (2005-12-29). FTIR studies of O(3P) atom reactions with CSe2, SCSe, and OCSe. Journal of Physical Chemistry A 109 (51) : 11815-11822. ScholarBank@NUS Repository. https://doi.org/10.1021/jp055113p
Abstract: 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. © 2005 American Chemical Society.
Source Title: Journal of Physical Chemistry A
URI: http://scholarbank.nus.edu.sg/handle/10635/93865
ISSN: 10895639
DOI: 10.1021/jp055113p
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

3
checked on Jan 8, 2018

WEB OF SCIENCETM
Citations

3
checked on Jan 8, 2018

Page view(s)

20
checked on Jan 15, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.