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Luminescence spectrum of 2-(2'-hydroxyphenyl)benzoxazole in the solid state 

Syetov Y.

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Abstract. We have found that the luminescence spectrum of 2-(2'-hydroxyphenyl)benzoxazole in its solid state includes only a band with a large Stokes shift assigned to a keto structure. Our quantum chemical calculations of the electronic structure of the molecule have demonstrated that restriction of the internal rotation increases quantum yield of the keto luminescence, while the luminescence with the normal Stokes shift can be quenched by the energy transfer.

Keywords: excited-state proton transfer, mixed molecular crystals, luminescence, density functional theory

PACS: 78.55.Kz 
UDC: 539.21, 543.42
Ukr. J. Phys. Opt. 14 1-5
doi: 10.3116/16091833/14/1/1/2013
Received: 24.10.2012

Анотація. Встановлено, що спектр люмінесценції 2-(2′-гідроксіфеніл)бензоксазолу у твердому стані містить лише смугу з великим стоксовим зсувом, яку віднесено до кето структури. Квантовохімічні розрахунки електронної структури ізольованої молекули показують, що обмеження внутрішнього обертання збільшує квантовий вихід кето люмінесценції, тоді як випромінювання з нормальним стоксовим зсувом може гаситися через перенесення енергії.
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