Vol. 20, issue 04, article # 13
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Abstract:
The geometry of stilbene-substituted (4-phenylstilbene (II), 1.4-bis(styryl)benzene (III)) was investigated by methods of quantum chemistry. The spectral-luminescent characteristics and rate constants of various molecular photoprocesses are calculated. From calculations, high oscillatory force of the first *-transition and the predominance of radiation constant over the rest photoprocesses cause the high luminescent properties of the compounds. The substitution leads to increase of the quantum yield of molecular luminescence by several times (for II - 0.95 in heptane; for III - 0.7 in toluene).