Asymmetry in ground and excited states in styryls and methoxystyryls detected by NMR (C-13), absorption, fluorescence and fluorescence excitation spectroscopy

作者：Stanova A V^*; Ryabitsky A B; Yashchuk V M; Kachkovsky O D; Gerasov A O; Prostota Ya O; Kropachev O V

来源：Journal of Molecular Structure, 2011, 988(1-3): 102-110.

DOI：10.1016/j.molstruc.2010.12.038

• Cyanine dyes
• Electron transitions
• Styryls
• Methoxystyryls
• Quantum-chemical calculations
• Spectroscopy

Combined quantum-chemical and spectral study of electron structure features of styryls and their oxyanalogues containing benzothiazolium, benzooxazolium, indoleninium, pyridium, quinolinium residues has been fulfilled. It showed that asymmetry degree of molecular geometry and charge distribution in the chromophore of styryls and methoxystyryls considerably differ in the ground and excited states. It was established that two the lowest transitions in styryls are splitting and involve both donor levels, similarly to symmetrical cyanines. If compare with methoxystyryls the long-wave high intensive absorption band is shifted bathochromically due to considerable interaction between the donor quasi-local chromophores. In contrary, because of the low position of a lone electron pair of oxygen in methoxystyryls, only one donor quasi-local chromophore is effective, hence such unsymmetrical dyes absorb appreciably higher.

• 出版日期2011-3-8