Conformal transitions of the laurdan molecule in the absorption and fluorescence spectra
Conformal transitions of the laurdan molecule in the absorption and fluorescence spectra
复制标题
劳丹分子在吸收光谱和荧光光谱中的共形跃迁
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
B. V. Korolev
中科院分区：
文献类型：
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作者：
Yu. P. Morozova;O. M. Zharkova;T. Y. Balakina;V. Y. Artyukhov;B. V. Korolev
用实验和量子化学方法研究了荧光探针分子laurdan（6-十二烷油-2-二甲氨基萘）。研究了结构非刚性对月桂分子的偶极矩、能级排列和电荷分布的影响。通过分子动力学方法对优化后的结构进行了分析。几种结构与不同的旋转角度的二甲氨基基团进行了研究，其中能量，振子力，和性质的电子状态进行了计算。解释了月桂醇分子在惰性溶剂中的荧光光谱。建立了分子与质子供体溶剂可能相互作用的中心。计算了被测探针的辐射和非辐射过程的速率常数以及量子荧光产额。
The fluorescent probe molecule – laurdan (6-dodekanoil-2-dimetilamin naphthalene) – is investigated by experimental and quantum-chemical methods. The influence of the structure non-rigidity on the dipole moments, arrangement of energy levels, and distribution of charges in the laurdan molecule is studied. An optimized structure is obtained and analyzed by the molecular dynamics method. Several structures with different rotation angles of the dimethylamino group are investigated, for which energy, oscillator forces, and nature of electron states are calculated. Fluorescence spectra of the laurdan molecule in an inert solvent are interpreted. Centers of possible interaction of the molecule with a proton-donor solvent are established. Rate constants of radiative and nonradiative processes and quantum fluorescence yields of the examined probe are calculated.