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HNC/HCN Ratio in Acetonitrile, Formamide, and BrCN Discharge

SYSNO ASEP	0359561
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	HNC/HCN Ratio in Acetonitrile, Formamide, and BrCN Discharge
Author(s)	Ferus, Martin (UFCH-W)_{ORCID, RID} Kubelík, Petr (UFCH-W)_{RID, ORCID} Kawahata, K. (JP) Dryahina, Kseniya (UFCH-W)_{RID, ORCID} Španěl, Patrik (UFCH-W)_{RID, ORCID} Civiš, Svatopluk (UFCH-W)_{RID, ORCID, SAI}
Source Title	Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639 Roč. 115, č. 10 (2011), s. 1885-1899
Number of pages	15 s.
Language	eng - English
Country	US - United States
Keywords	transform infrared spectroscopy ; transition sipole moment ; HNC/HCN abundance ratio
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	IAA400400705 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	IAAX00100903 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	GAP208/10/2302 GA ČR - Czech Science Foundation (CSF)
	GA202/09/0800 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
UT WOS	000288113200016
DOI	10.1021/jp1107872
Annotation	Time-resolved Fourier transform (FT) spectrometry was used to study the dynamics of radical reactions forming the HCN and HNC isomers in pulsed glow discharges through vapors of BrCN, acetonitrile (CH3CN), and formamide (HCONH2). Stable gaseous products of discharge chemistry were analyzed by selected ion flow tube mass spectrometry (SIFT-MS). Ratios of concentrations of the HNC/HCN isomers obtained using known transition dipole moments of rovibrational cold bands v(1) were found to be in the range 2.2-3%. A kinetic model was used to assess the roles the radical chemistry and ion chemistry play in the formation of these two isomers. Exclusion of the radical reactions from the model resulted in a value of the HNC/HCN ratio 2 orders of magnitude lower than the experimental results, thus confirming their dominant role. The major process responsible for the formation of the HNC isomer is the reaction of the HCN isomer with the H atoms.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2012

Number of the records: 1