Flavin-related Compounds: 3-Ethyl-lumiflavin. Combined DFT, NMR, X-ray and EI Mass Spectral Study

摘要: 3-Ethyl-lumiflavin was characterized by a variety of methods. Laser flash photolysis measurements in methanol solutions yielded triplet state living 9.5 μs and radical species 91 μs, with steady-state quantum yields below 10 -5 . Fluorescence lifetime 4.5 ns yield 0.16 recorded aqueous solutions. Crystal structure determined X-ray diffraction quite similar to the geometry an isolated molecule calculated using DFT approach, observed differences attributable nonlinear hydrogen bond existing crystal solid. El mass spectra revealed fragmentation path specific this compound inexistent lumiflavin or other compounds, due ejection ofa C 2 H 5 -N=C=O molecule, containing ethyl substituent parent molecule.