Formation of the Interstellar Molecules HNC 3 and HC 3 N from a C 3 Carbon Cluster and Ammonia

Autor:	Benjamin Doughty, Joseph Cole, Jan Szczepanski, Martin Vala, Haiyan Wang
Rok vydání:	2005
Předmět:	Physics Astrochemistry Reaction step Interstellar ice Binding energy Photodissociation Infrared spectroscopy Astronomy and Astrophysics chemistry.chemical_compound chemistry Space and Planetary Science Potential energy surface Cyanoacetylene Physical chemistry Atomic physics
Zdroj:	The Astrophysical Journal. 626:L69-L72
ISSN:	1538-4357 0004-637X
Popis:	The reaction of the carbon cluster, C3, with ammonia (NH3) in cryogenic argon matrices (at 12 K), conditions that mimic, at least in part, interstellar ice, has been monitored by infrared spectroscopy. We present evidence that, in the first reaction step, a C3-NH3 complex is formed without an entrance barrier. The calculated [MP2/6-311++G(d,p)] zero-point-corrected binding energy of the complex is 14.39 kJ mol-1 at its equilibrium geometry. After UV-visible photolysis, the complex dissociates and forms the HNC3 molecule. Upon further photolysis, HNC3 is destroyed, and HC3N (cyanoacetylene) is generated. The calculated potential energy surface for this reaction reveals that HNC3 is produced from the C3-NH3 complex by loss of H2, while HC3N is formed from HNC3 by H migration along the NC3 backbone.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c034cc3230b056b9bb66034670aa77b4 https://doi.org/10.1086/431741 Zobrazit plný text záznamu