Studies on the Electronic Absorption Spectra of Some Selected Furan Derivatives. Molecular Orbital Calculations

Article abstract of DOI:10.1246/bcsj.57.844

The electronic absorption spectra of three groups of furan derivatives: 2-formyl, 2-acetylfuran, and 2-furoic acid, N-(2-furylmethylene)amines and phenylfurans were investigated.The predominant conformation as well as the polarity of the molecule could be predicted from its spectrum.The investigated molecules were proved to be " all planar" configuration which led to substantial interaction between the electronic states of the subsystems.The preferred conformations of N-(2-furylmethylene)methylamine and N-(2-furylmethylene)aniline were predicted with the aid of molecular orbital calculations.