Computational Nanochemistry Study of the Molecular Structure, Spectra and Chemical Reactivity Properties of the BFPF Green Fluorescent Protein Chromophore - Biosensors Nanotechnology - page 217

4270. 3843. 3416. 2989. 2562. 2135. 1708. 1281. 854.1 427.0 0.000

-100. -100.

20.07 20.07

140.5 140.5

261.0 261.0

381.5 381.5

501.9 501.9

622.4 622.4

742.9 742.9

863.4 863.4

983.8 983.8

1104. 1104.

4270. 3843. 3416. 2989. 2562. 2135. 1708. 1281. 854.1 427.0 0.000

cm -1

Figure 7.5 Infrared spectrum of the BFPF Green Fluorescent Protein Chromophore
calculated with the M06 density functional and the MIDIY+ basis set.

4250. 3825. 3400. 2975. 2550. 2125. 1700. 1281. 850.0 425.0 0.000

-85.2
17.04
119.3
221.6
323.9
426.1
528.4
630.7
733.0
835.3
937.6

-85.2
17.04
119.3
221.6
323.9
426.1
528.4
630.7
733.0
835.3
937.6

4250. 3825. 3400. 2975. 2550. 2125. 1700. 1281. 850.0 425.0 0.000

cm -1

Figure 7.6 Infrared spectrum of the BFPF Green Fluorescent Protein Chromophore
calculated with the M06L density functional and the MIDIY+ basis set.

4274. 3847. 3419. 2992. 2564. 2137. 1709. 1282. 854.9 427.4 0.000

-119.
23.97
167.8
311.7
455.6
599.4
743.3
887.2
1031.
1175.
1318.

-119.
23.97
167.8
311.7
455.6
599.4
743.3
887.2
1031.
1175.
1318.

4274. 3847. 3419. 2992. 2564. 2137. 1709. 1282. 854.9 427.4 0.000

cm -1

Figure 7.7 Infrared spectrum of the BFPF Green Fluorescent Protein Chromophore
calculated with the M06-2X density functional and the MIDIY+ basis set.