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Old May 14th 2019, 08:14 AM   #1
Rikeedy
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Woodward–Fieser rules, caffeine, absorption maximum, λmax, wavelength

Hey do any of you know how to calculate the the wavelength of the absorption maximum (λmax) in an ultraviolet–visible spectrum of caffeine using the Woodward–Fieser rules?

That would be a great help!

https://en.wikipedia.org/wiki/Woodward%27s_rules

Woodward–Fieser rules, caffeine, absorption maximum, λmax, wavelength
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Old May 15th 2019, 02:51 AM   #2
Rikeedy
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Ist Purin base with 3 Methyl groups.
and im using it desolved in water=> so -8 nm

in lit. it is around 275 nm and calculated it should lay at 284 nm (276nm in water)

but i cant quite figure out the method of calcualtion...?
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