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J/ApJ/519/697      Molecular study of HC3NH++e-          (Osamura+, 1999)

A molecular orbital study of the HC3NH++e- dissociative recombination and its role in the production of cyanoacetylene isomers in interstellar clouds Osamura Y., Fukuzawa K., Terzieva R., Herbst E. <Astrophys. J. 519, 697 (1999)> =1999ApJ...519..697O
ADC_Keywords: Atomic physics ; Interstellar medium Keywords: ISM: molecules - molecular processes Abstract: The dissociative recombination reaction between HC3NH+ and electrons is an important process in the chemistry of interstellar clouds. Motivated by the evidence that HCN and its metastable isomer HNC are both formed via the dissociative recombination reaction of HCNH+, we have examined the potential energy surface for the dissociation of the transient HC3NH following the recombination between HC3NH+ and electrons. We find that HC3NH+ gains 151 kcal mol-1 energy by the neutralization; this energy is high enough to isomerize HC3NH to HCCNCH, as well as to dissociate a hydrogen atom from either end of the molecule. The present calculation suggests, therefore, that the metastable linear and near-linear isomers of HC3N, namely, HNC3, HCCNC, and HCNCC, can be formed via the dissociative recombination between HC3NH+ and electrons. Two of these isomers, HNC3 and HCCNC, have already been detected in the dark cloud TMC-1. The unobserved species HCNCC is energetically the least stable. Since interstellar HC3N molecules are synthesized predominantly via neutral-neutral reactions, the HC3NH+ + e- process serves mainly to produce the metastable isomers of HC3N. File Summary:
FileName Lrecl Records Explanations
ReadMe 80 . This file table2.dat 59 116 Reactions involving HC3N, its isomers, and their protonated ions
Byte-by-byte Description of file: table2.dat
Bytes Format Units Label Explanations
1- 8 E8.2 cm3/s Const Constant on the rate coefficient (1) 10- 13 F4.1 --- Sp+Index Power law on the rate coefficient equation 15- 59 A45 --- Reaction The Reaction
Note (1): Rate coefficients are in the form Const(T/300)Sp+Index, where Const is in units of cm3.s-1, except for the photodissociation of HC3N, by internally generated photons, for which Const is unitless and multiplies the cosmic-ray ionization rate ζ (s-1).
History: From ApJ electronic edition
(End) Greg Schwarz [AAS] 28-Apr-2000
The document above follows the rules of the Standard Description for Astronomical Catalogues.From this documentation it is possible to generate f77 program to load files into arrays or line by line

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