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This spectrum was calculated using Density Functional Theory at B3LYP 6-31G* level using Spartan ’08 software.
The maximum absorbance of Disperse Orange 1 calculated using the HOMO/LUMO gap method was found to be 439nm (HOMO/LUMO gap = ~4.52E-19J).
The spectral results are in reasonable agreement with this calculation, and both results suggest an orange compound.
Provided by the
