Effect of substitution on spectral-luminescent properties and photoprocesses in styryl-substituted benzene derivatives

Autor: T. N. Kopylova, Irina V. Sokolova, O. V. Timchenko
Rok vydání: 2013
Předmět:
Zdroj: Journal of Applied Spectroscopy. 80:542-549
ISSN: 1573-8647
0021-9037
DOI: 10.1007/s10812-013-9802-8
Popis: The structure–property relationship was established and the role of the substituents in styryl-substituted benzene derivatives was revealed by using a comprehensive approach combining experimental measurements and quantum-chemical calculations by the AM1, PM3, and INDO/S methods. The molecular electronic structure, orbital nature, and electron excited state formation mechanism were examined. Peculiarities of photoprocesses including triplet–triplet absorption T l → T j were studied. It was shown that substitution in the para-position of aromatic styrylbenzenes could improve significantly the luminescent properties and produce compounds that were promising as fluorescent probes and active media for dye lasers. Non-planar conformations and cis-forms of this class of compounds could be used as laser radiation limiters if steric strain was created in the molecular structure because of an increase in the intersystem crossing rate up to 1010 s−1 and strong T l → T j absorption channels near the region of fluorophore emission.
Databáze: OpenAIRE