Characteristics of calculation of electronic states of orbitally degenerate systems for some macrocyclic ligands

Autor:	V. N. Poltavets, G. T. Klimko, S. I. Smirnov, G. E. Vaiman, M. M. Mestechkin
Rok vydání:	1990
Předmět:	Metal chemistry.chemical_compound Electronic correlation Position (vector) Chemistry visual_art Degenerate energy levels visual_art.visual_art_medium General Chemistry Atomic physics Phosphorescence Porphyrin Electronic states
Zdroj:	Theoretical and Experimental Chemistry. 26:310-312
ISSN:	1573-935X 0040-5760
DOI:	10.1007/bf00641339
Popis:	Taking into account electron correlation in the π-electron approximation, we have calculated the splitting of the quasidegenerate states in the dianions of porphyrin and TAAB metal complexes. The position of the phosphorescent terms for the metalloporphyrin in this approach comes closer to the experimental result than when only singly degenerate configurations are taken into account.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::89c8fcfc70ec3ed8b02a6a9cef9e1bb5 https://doi.org/10.1007/bf00641339 Zobrazit plný text záznamu Full text from SpringerLink