2.5 Optical Properties
61
B B-Tetra model
Rotatory strength (10 -40
cgs)
Wavelength (nm)
Fig. 2.54 CD spectra obtained by experiment (black) and by calculation (magenta) for B-DNA
(right-handed double helical structure). The latter spectrum was obtained by convoluting the calculated rotatory strengths indicated by bar graphs. For the calculation a tetramer model in the right
side was employed. The calculated excitation energies have been shifted by 0.5 eV to the lower
values. Reprinted with permission from Miyahara et al. (2013). Copyright 2013 American Chemical
Society
(a)
(b)
sotolon
franone
(c)
cm -1
Δε
ε
ε
Δε
cm -1
Δε
ε
Δε
ε
Fig. 2.55 a Absolute configurations of sotolon (1) and maple furanone (2) and the observation
and calculation data of VCD and IR spectra with respect to b sotolon (1) and c maple furanone
(2). See text for the detailed calculations. Reprinted with permission from Nakahashiet al. (2011).
Copyright 2011 American Chemical Society
the conventional MO calculations software. It is mentioned here that the comparison of the observed and the calculated VCD spectra have been accumulated as in
Fig. 2.55 (Stephens et al. 2007; Nakahashi et al. 2011).
61
B B-Tetra model
Rotatory strength (10 -40
cgs)
Wavelength (nm)
Fig. 2.54 CD spectra obtained by experiment (black) and by calculation (magenta) for B-DNA
(right-handed double helical structure). The latter spectrum was obtained by convoluting the calculated rotatory strengths indicated by bar graphs. For the calculation a tetramer model in the right
side was employed. The calculated excitation energies have been shifted by 0.5 eV to the lower
values. Reprinted with permission from Miyahara et al. (2013). Copyright 2013 American Chemical
Society
(a)
(b)
sotolon
franone
(c)
cm -1
Δε
ε
ε
Δε
cm -1
Δε
ε
Δε
ε
Fig. 2.55 a Absolute configurations of sotolon (1) and maple furanone (2) and the observation
and calculation data of VCD and IR spectra with respect to b sotolon (1) and c maple furanone
(2). See text for the detailed calculations. Reprinted with permission from Nakahashiet al. (2011).
Copyright 2011 American Chemical Society
the conventional MO calculations software. It is mentioned here that the comparison of the observed and the calculated VCD spectra have been accumulated as in
Fig. 2.55 (Stephens et al. 2007; Nakahashi et al. 2011).