Porphyrin-like macrocyclic complexes : a spectroscopic and theoretical study of dibenzo [b;i] [1,4,8,11] tetraaza [14]annulenenickel (II)
- Author
- ROSA, A1 ; RICCIARDI, G; LELJ, F; CHIZHOV, Y
[1] Univ. basilicata, dep. chimica, 85100 Potenza, Italy - Source
Chemical physics. 1992, Vol 161, Num 1-2, pp 127-140 ; ref : 43 ref
- CODEN
- CMPHC2
- ISSN
- 0301-0104
- Scientific domain
- Metallurgy, welding; Atomic molecular physics; Condensed state physics; Polymers, paint and wood industries
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé minéral Composé tricyclique Coordinat organique Délocalisation électronique Energie totale Etude théorique Fonctionnelle densité Hétérocycle azote Macrocycle Métal transition Complexe Méthode LCAO Méthode SCF Nickel Complexe Orbitale frontière Population niveau énergie Potentiel ionisation Spectre UV visible Spectre UV Spectre photoélectron Structure électronique Dibenzo[b,i][1,4,8,11]tétraazacyclotétradécatétraène dérivé
- Keyword (en)
- Inorganic compound Tricyclic compound Organic ligand Electron delocalization Total energy Theoretical study Density functional Nitrogen heterocycle Macrocycle Transition metal Complexes LCAO method SCF method Nickel Complexes Frontier orbital Energy level population Ionization potential Ultraviolet visible spectrum Ultraviolet spectrum Photoelectron spectrum Electronic structure
- Keyword (es)
- Compuesto inorgánico Compuesto tricíclico Ligando orgánico Deslocalización electrónica Energía total Estudio teórico Funciónal densidad Heterociclo nitrógeno Macrociclo Metal transición Complejo Método LCAO Método SCF Niquel Complejo Orbital frontera Población nivel energía Potencial de ionización Espectro UV visible Espectro UV Espectro fotoelectrones Estructura electrónica
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5331671
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
10.1016/0301-0104(92)80181-T 
https://dx.doi.org/10.1016/0301-0104(92)80181-T
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