THEORETICAL AND EXPERIMENTAL-STUDY OF THE ELECTRONIC-SPECTRUM AND PHOTOPHYSICS OF MICHLER HYDROL BLUE

被引:18
作者
BARALDI, I
CARNEVALI, A
MOMICCHIOLI, F
PONTERINI, G
机构
[1] Dipartimento di Chimica, Università di Modena, 41100 Modena
关键词
D O I
10.1016/0301-0104(92)87093-O
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The properties of the lowest electronic states of Michler's hydrol blue, the prototypic diarylmethane dye, were investigated by photophysical measurements and CS-INDO CI calculations. MHB solutions showed very weak fluorescence emissions (PHI(F) almost-equal-to 2.0-3.0 x 10(-4)) at room temperature and, from the sensitized T1-T(n) absorption spectrum of MHB in acetic acid, the T1 formation quantum yield (PHI(T)) was estimated to be below 3.5 x 10(-2). Starting from these observations, which point to a cyanine-like nature of MHB, a detailed theoretical study was carried out taking BMNC (bisdimethylaminononamethine cyanine) as the suitable reference chromophore. Calculations included the ground state conformation, the electronic S0-S(n) and T1-T(n) absorption spectra and the potential energy curves for twisting about one central C-C bond in the S0, T1 and S1 states. On the whole, the reported results support the existence of a close relationship between MHB and BMNC and indicate that the fast deactivation of the lowest excited singlet state occurs via internal conversion from twisted configurations characterized by charge localization.
引用
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页码:85 / 96
页数:12
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