Table · dataset · 2012
Quadratic F_ij_ force field in l-CH_4_^-^
Listed in IVOA Registry (Virtual Observatory)
Using state-of-the-art theoretical methods, we investigate the stable isomers of C^-^_4_, C_4_H and C_4_H^-^.
Description
Three of them are relevant for astrophysics and astrochemistry. These computations are performed using highly correlated ab initio methods and the aug-cc-pVXZ (X=T,Q) basis sets.
In addition to the linear isomers, we predict the existence of several cyclic and branched forms for these molecules. For all the molecular species of interest here, sets of spectroscopic parameters are determined with perturbation theory, which compare quite well with experiment. For l-C_4_H^-^(X^1^{Sigma}^+^), the quartic force field is computed at the coupled cluster level of theory.
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This force field is derived from full nine-dimensional potential energy surface generated close to the equilibrium geometry of this anion. Finally, we treat the thermochemistry of the hydrogen attachment and the electron attachment reactions that may lead to the formation of the C_4_H^-^ from either C^-^_4_ or C_4_H.
Links
Where it is published
- Reference page cdsarc.cds.unistra.fr/viz-bin/cat/J/ApJ/708/1452 ↗
landing page · from IVOA Registry
Documentation and papers
- ADS 2010ApJ...708.1452S ui.adsabs.harvard.edu/abs/2010ApJ...708.1452S ↗
publication · from IVOA Registry
Catalogue records · 2
- VOResource record dc.g-vo.org/oai.xml?verb=GetRecord&metadataPrefix=ivo_vor&identifier=ivo%3… ↗
metadata API · from IVOA Registry
- Registry record (GAVO) dc.g-vo.org/I/cds.vizier/j/apj/708/1452 ↗
catalogue entry · from IVOA Registry
Topics
- From keywords
- Astronomy & Astrophysics
Provenance · 1 source records, 7 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| IVOA Registry (Virtual Observatory) | ivo://cds.vizier/j/apj/708/1452 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · IVOA Registry | connector:ivoa_registry@1.0.0 | |
| concepts[field].local:field:astronomy | mapping · IVOA Registry | connector:ivoa_registry@1.0.0 | |
| description | source · IVOA Registry | connector:ivoa_registry@1.0.0 | rr.resource.res_description |
| license_text | source · IVOA Registry | connector:ivoa_registry@1.0.0 | |
| publication_date | source · IVOA Registry | connector:ivoa_registry@1.0.0 | |
| title | source · IVOA Registry | connector:ivoa_registry@1.0.0 | rr.resource.res_title |
| updated_date | source · IVOA Registry | connector:ivoa_registry@1.0.0 |