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. Author manuscript; available in PMC: 2011 Mar 4.
Published in final edited form as: J Phys Chem B. 2010 Mar 4;114(8):2944–2953. doi: 10.1021/jp909531s

Figure 9. Simulated spectra for an artificially large (100 cm−1) splitting of the degeneracy: effects of population exchange and 2π / 3 flips of the transition dipoles.

Figure 9

The parameters are from Table 2 for DGdm+ in D2O. The upper row is for XXXX and the lower row for XXYY polarization.

1a and 1b: T=0, spectral diffusion incorporated, no population exchange or 2π / 3 flips.

2a and 2b: T=2 ps, otherwise as in 1a and 1b.

3a and 3b: T=2 ps, spectral diffusion and population exchange incorporated, no 2π / 3 flips.

4a and 4b: T=2 ps, spectral diffusion and 2π / 3 flips incorporated, but no population exchange.