Premium
Elektronenstruktur und physikalisch‐chemische Eigenschaften von Azo‐Verbindungen Teil IV: LCAO‐MO‐Modelle des Phenyl‐azo‐azulens
Author(s) -
Gerson F.,
Heilbronner E.
Publication year - 1958
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.19580410744
Subject(s) - azulene , chemistry , linear combination of atomic orbitals , oscillator strength , computational chemistry , medicinal chemistry , photochemistry , physics , density functional theory , quantum mechanics , basis set , spectral line
Abstract Naive LCAO‐MO‐models for the electron system of phenyl‐azo‐azulene have been calculated according to the approximation proposed by E. Hückel. The theoretical predictions for the transition energies and the oscillator strength of the two longwave transitions of both azulene and phenyl‐azo‐azulene have been compared to the corresponding experimental values.