INTERSTELLAR SILICON-NITROGEN CHEMISTRY .4. WHICH REACTION PATHS TO HSIN AND HNSI - AN EXTENSIVE AB-INITIO INVESTIGATION WITH CRUCIAL CONSEQUENCES FOR MOLECULAR ASTROPHYSICS
O. Parisel et al., INTERSTELLAR SILICON-NITROGEN CHEMISTRY .4. WHICH REACTION PATHS TO HSIN AND HNSI - AN EXTENSIVE AB-INITIO INVESTIGATION WITH CRUCIAL CONSEQUENCES FOR MOLECULAR ASTROPHYSICS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(3), 1997, pp. 299-309
In order to provide a possible explanation for the lack of detection o
f both HSiN and HNSi in the interstellar medium an ab initio study of
the Si++NH3 reaction is presented: it includes accurate energetic cons
iderations and sketches dynamics discussions as well. It is unambiguou
sly concluded that the X(1)A(1) ground state of the SiNH2+ cation is t
he only exit channel of this reaction assuming interstellar conditions
. The rotational and vibrational constants of this species are reporte
d to stimulate its experimental and astrophysical searches. Upon disso
ciative recombination, it is likely that SiNH2+ can evolve toward HNSi
: unfortunately, the dramatic weakness of the dipole moment of the lat
ter species (0.05 D) makes it an unlikely candidate for today's radiot
elescopes. At variance with HNSi the high dipole moment value of HSiN
(4.5 D) would make it a much more attractive candidate for astrophysic
al searches, but under interstellar conditions, we show that it can de
rive neither from the unimolecular HNSi<->HSiN equilibration nor from
the Si++NH3, N+SiH3+ or N++SiH3 reactions as sometimes incorrectly sta
ted in the astrophysical models that deduce interstellar silicon chemi
stry from that of carbon. Throughout this study, the very hazardous ch
aracter of conclusions deduced from isoelectronic considerations shoul
d be considered as the leading feature: the finishing stroke to such i
soelectronic analogies is given by our study of the H++HNSi<->HSiN+Hreactions which leads to the conclusion that HSiN might be unlikely to
survive interstellar hydrogenation processes.