Thymine Raman spectra

The UV resonance Raman spectrum of thymine was revisited in 2007, with a slightly different approach, by Yarasi, et al. [119]. Here, the absolute UV resonance Raman cross-sections of thymine were measured and the time-dependent theory was used to experimentally determine the excited-state structural dynamics of thymine. The results indicated that the initial excited-state structural dynamics of thymine occurred along vibrational modes that are coincident with those expected from the observed photochemistry. The similarity in a DFT calculation of the photodimer transition state structure [29] with that predicted from the UV resonance Raman cross-sections demonstrates that combining experimental and computational techniques can be a powerful approach in elucidating the total excited-state dynamics, electronic and vibrational, of complex systems. 

Figure 4. Raman spectra of the thymine carbonyl vibrations the three DNA fully deuterium exchanged in D2O. The spectrum (A) is from [d(A5T5)2)2 the spectrum (B) is from Id(TTATTATAATATTATAATAA)J2 and the spectrum (C) is from poly(dA) poly(dT). Spectra are taken at 5° C in 0.5 M NaCl (pH 6.8). The difference spectra arc (D) is spectrum (A) minus spectrum (B) and spectrum (E) is spectrum (A) minus spectrum (C).

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