The relative stability of some C4H4F+ and C4H4Cl+ isomers investigated by ab initio quantum chemical methods: are cyclic halogenophenium ions aromatic?
- Author
- UGGERUD, E1
[1] Univ. Oslo, dep. chemistry, Oslo 0315, Norway - Source
Perkin transactions. 2. 1986, Num 11, pp 1857-1859 ; ref : 16 ref
- CODEN
- JCPKBH
- ISSN
- 0300-9580
- Scientific domain
- Organic chemistry; Atomic molecular physics
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Aromaticité Cation organique Composé monocyclique Conformation Distribution charge électronique Energie totale Etude théorique Halogène Composé organique Halogénonium composé Hétérocycle chlore Hétérocycle halogène Interaction configuration Isomère Méthode CAS SCF Méthode Pulay Méthode ab initio Orbitale gaussienne contractée Cation C4H4Cl Cation C4H4F Hétérocycle fluor
- Keyword (en)
- Aromaticity Organic cation Monocyclic compound Conformation Electron charge distribution Total energy Theoretical study Halogen Organic compounds Halogenonium compounds Chlorine heterocycle Halogen heterocycle Configuration interaction Isomer CAS SCF method Pulay method Ab initio method Contracted gaussian orbital
- Keyword (es)
- Aromaticidad Cation organico Compuesto monocíclico Conformacion Distribucion de la carga electronica Energía total Estudio teórico Halógeno Halogenonio compuesto Heterociclo cloro Heterociclo halógeno Interacción configuración Isomero Método CAS SCF Método Pulay Método ab initio Orbital gaussiano contractado
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A25 Electron correlation calculations for atoms and molecules
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 8234554
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/p29860001857 
https://dx.doi.org/10.1039/p29860001857
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