THEORETICAL STUDY OF TRIPLET-TRIPLET ABSORPTION SPECTRA OF MONO AND P-DI-SUBSTITUTED BENZENES WITH ELECTRON-DONATING SUBSTITUENTS

Theoretical studies of π-electron structures of triplet states of mono and p-di-substituted benzenes with the electron-donating groups, OCH3 and N(CH3)2, were carried out by considering configurational interactions between the locally excited triplet configurations of benzene and the intramolecular charge-transfer (or electron-transfer) triplet configurations. Assignments of the triplet-triplet absorption spectra reported for N, N-dimethylaniline and N, N, N′, N′-tetramethyl-p-phenylenediamine are made on the basis of the present theoretical results of transition energy and oscillator strength. From the present study, it is concluded that the T-T absorption bands of DMA and TMPD appearing in the visible region are so-called ‘intramolecular charge-transfer bands’. © 1968 Taylor and Francis Group, LLC.