Coumarin derivatives represent one of the most important chemical classes of organic fluorescent materials. The results of PPP molecular orbital calculations, after refinement by parameter optimisation, were found to provide a good account of the electronic absorption spectra for a series of substituted coumarins. The electronic structures of several of the derivatives and the nature of the electronic excitation process are discussed in terms of the calculated p-electron charge densities. © 1999 Elsevier Science Ltd. All rights reserved.
|Number of pages||9|
|Journal||Dyes and Pigments|
|Publication status||Published - 30 Apr 1999|
- Electronic spectra
- PPP-MO calculations