NDLI: Chemistry of HCNH$^{+}$: mechanisms, structures, and relevance to Titan’s atmosphere

Content Provider	Springer Nature Link
Author	Demarais, Nicholas J. Yang, Zhibo Sw, Theodore P. Bierbaum, Veronica M.
Copyright Year	2013
Abstract	The chemistry of HCNH$^{+}$ in Titan’s atmosphere is not completely understood despite previous experimental and theoretical studies. In response to recent suggestions in the literature, we have searched for specific products of the reactions of HCNH$^{+}$ with H$_{2}$, CH$_{4}$, C$_{2}$H$_{2}$, and C$_{2}$H$_{4}$ using the flowing afterglow-selected ion flow tube technique. We have probed for an association mechanism for reaction with H$_{2}$, and associative-H$_{2}$ loss for the reactions involving CH$_{4}$, C$_{2}$H$_{2}$, and C$_{2}$H$_{4}$. In all cases, these reaction mechanisms were found to be inefficient pathways for the depletion of HCNH$^{+}$. Our ab initio computational studies characterize the structures and energies for these mechanisms and indicate that the proposed pathways are endothermic or possess reaction barriers. We compare our studies to previous experimental and computational work, and we suggest other ion-neutral reactions with HCNH$^{+}$ that have not been included in previous models of Titan’s ionosphere.
Starting Page	1957
Ending Page	1963
Page Count	7
File Format	PDF
ISSN	10400400
Journal	Structural Chemistry
Volume Number	24
Issue Number	6
e-ISSN	15729001
Language	English
Publisher	Springer US
Publisher Date	2013-05-07
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Protonated hydrogen cyanide Gas-phase ion chemistry Structural characterization Titan’s atmosphere Computer Applications in Chemistry Physical Chemistry Theoretical and Computational Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry Condensed Matter Physics

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