Formation of the interstellar molecules HNC3 and HC3N from A C3 carbon cluster and ammonia

Jan Szczepanski; Haiyan Wang; Benjamin Doughty; Joseph Cole; Martin Vala

doi:10.1086/431741

Formation of the interstellar molecules HNC₃ and HC₃N from A C₃ carbon cluster and ammonia

Jan Szczepanski, Haiyan Wang, Benjamin Doughty, Joseph Cole, Martin Vala

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

The reaction of the carbon cluster, C₃, with ammonia (NH ₃) 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-NH ₃ 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.

Original language	English
Pages (from-to)	L69-L72
Journal	Astrophysical Journal
Volume	626
Issue number	1 II
DOIs	https://doi.org/10.1086/431741
State	Published - Jun 10 2005
Externally published	Yes

Keywords

Astrochemistry
Methods: laboratory
Molecular processes
Techniques: spectroscopic

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10.1086/431741

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@article{5cfbe15b7fbd4456bd7a8f171c886f11,

title = "Formation of the interstellar molecules HNC3 and HC3N from A C3 carbon cluster and ammonia",

abstract = "The reaction of the carbon cluster, C3, with ammonia (NH 3) 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-NH 3 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.",

keywords = "Astrochemistry, Methods: laboratory, Molecular processes, Techniques: spectroscopic",

author = "Jan Szczepanski and Haiyan Wang and Benjamin Doughty and Joseph Cole and Martin Vala",

year = "2005",

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doi = "10.1086/431741",

language = "English",

volume = "626",

pages = "L69--L72",

journal = "Astrophysical Journal",

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TY - JOUR

T1 - Formation of the interstellar molecules HNC3 and HC3N from A C3 carbon cluster and ammonia

AU - Szczepanski, Jan

AU - Wang, Haiyan

AU - Doughty, Benjamin

AU - Cole, Joseph

AU - Vala, Martin

PY - 2005/6/10

Y1 - 2005/6/10

N2 - The reaction of the carbon cluster, C3, with ammonia (NH 3) 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-NH 3 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.

AB - The reaction of the carbon cluster, C3, with ammonia (NH 3) 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-NH 3 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.

KW - Astrochemistry

KW - Methods: laboratory

KW - Molecular processes

KW - Techniques: spectroscopic

UR - http://www.scopus.com/inward/record.url?scp=22544434637&partnerID=8YFLogxK

U2 - 10.1086/431741

DO - 10.1086/431741

M3 - Article

AN - SCOPUS:22544434637

SN - 0004-637X

VL - 626

SP - L69-L72

JO - Astrophysical Journal

JF - Astrophysical Journal

IS - 1 II

ER -

Formation of the interstellar molecules HNC₃ and HC₃N from A C₃ carbon cluster and ammonia

Abstract

Keywords

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