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Reaktivität und Elektronenstruktur porphinoider Nickelkomplexe
Author(s) -
Meier Kurt,
Scheffold Rolf,
Calzaferri Gion
Publication year - 1981
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19810640742
Subject(s) - chemistry , annulene , reactivity (psychology) , electronic structure , nickel , computational chemistry , atom (system on chip) , metal , stereochemistry , organic chemistry , medicine , alternative medicine , pathology , computer science , embedded system
Reactivity and Electronic Structure of Porphine‐type Nickel Complexes The electronic structure of the porphine‐type hexaaza[16]annulene‐nickel dikation 1 ′ as well as its mono‐ and diaddition products 2 ′ and 3 ′ ( Scheme 2 ) has been considered by an extended Hückel treatment (SCCC‐MO including charge iteration on the central metal atom). Correlations between calculated data and reactivity of the porphinoid compounds 1 , 2 and 3 (Scheme 1) are discussed.