Electrooptical Absorption Measurements (EOAM) Testify Existence of two Conformers of Prodan and Laurdan with Different Dipole Moments in Equilibrium Ground and Franck-Condon Excited State

被引:11
作者
Nemkovich, N. A. [1 ]
Detert, H. [1 ]
Roeder, N. [1 ]
机构
[1] Johannes Gutenberg Univ Mainz, Inst Organ Chem, Duesbergweg 10-14, D-55099 Mainz, Germany
关键词
Prodan; Laurdan; Dipole moments; Electrooptical absorption measurements (EOAM); Molecular Stark-effect spectroscopy; Conformers; INTRAMOLECULAR CHARGE-TRANSFER; STARK-EFFECT SPECTROSCOPY; ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; FLUORESCENCE-SPECTRA; THERMOCHROMIC SHIFTS; ELECTRONIC STATES; PROBE PRODAN; ATOMS LI; DERIVATIVES;
D O I
10.1007/s10895-016-1809-0
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The results from the electrooptical absorption measurements (EOAM) on the equilibrium ground and excited Franck-Condon state dipole moments of Prodan and Laurdan in 1,4-dioxane are presented. As follows from experiments Prodan and Laurdan in the equilibrium ground and excited Franck-Condon state have two conformers with considerably different dipole moments. The electrical dipole moments and the transition dipole moment, obtained from the short-wavelength region of the absorption spectrum are parallel. The electrical dipole moments measured at the long-wavelength spectral region are parallel to each other but not parallel to the transition dipole moment m (a). The angle theta between the transition dipole moment m (a) and the dipole moment in the equilibrium ground state mu (g) of the long-wavelength conformer is about 30(0) for both probes. Obtained results evidence that donor-acceptor pairs of the short-wavelength and long-wavelength conformers are not located on the same axis. Two low-energy conformers of Prodan have been found by density functional theory (DFT) calculations, differing in the orientation of the carbonyl group towards the naphthalene system.
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页码:1563 / 1572
页数:10
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