Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Theoretical electronic emission spectra of indigo and indirubin computational at the B3LYP/6-311G(d,p) level of theory.
| Molecular | Wavelength (nm) | Transition Coefficient | Oscillator Strengths (f) | Assignment 1 | |
|---|---|---|---|---|---|
| Experimental | Computational | ||||
| Indigo | 486 (8.57 × 105) | 438.35 | 0.68114 | 0.7352 | L → H |
| Indirubin | 412 (5.10 × 104) | 433.26 | 0.67598 | 0.6871 | L → H |
1 H = highest occupied molecular orbital; L = lowest unoccupied molecular orbital.
