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. Author manuscript; available in PMC: 2019 Mar 2.
Published in final edited form as: Chembiochem. 2018 Jan 31;19(5):470–477. doi: 10.1002/cbic.201700542

Table 1.

Predicted ΔEHOMO-LUMO and observed bioluminescent λem for the pyridone and hydroxypyridine luciferin tautomers.

graphic file with name nihms-986041-t0001.jpg
compound pyridone (nm) hydroxypyridine (nm) λem(nm)
oxy3 403 582 570
oxy4 349 510 530
[a]

Wavelengths were calculated from predicated HOMO/LUMO energies from DFT calculations (B3LYP functional and 6–311+G** basis set)