In a UV-Vis theoretical calculation, what does the HOMO-LUMO gap mean?

Here you can find good explanation and band gap calculator,
http://www.instanano.com/characterization/theoretical/uv-vis-spectroscopy-band-gap-calculation/

David Browne  Follow Following

Here you can find good explanation and band gap calculator,
http://www.instanano.com/characterization/theoretical/uv-vis-spectroscopy-band-gap-calculation/

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Hello Johan,
Regarding experimental papers the band gap energy is equal to the onset of the absorption band (from low to high energy). According the above, the absorption band of maximun lamda should start in 532 nm. If you want, you can call me.
Best regards.
Rody

BBIER? Lighting Manufacturer  Follow Following

Hello Johan,
Regarding experimental papers the band gap energy is equal to the onset of the absorption band (from low to high energy). According the above, the absorption band of maximun lamda should start in 532 nm. If you want, you can call me.
Best regards.
Rody

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The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

Bimala Ranabhat  Follow Following

The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

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The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

Bruce A McIntyre  Follow Following

The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

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The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

Carlo Bergonzoni  Follow Following

The energy gap (Eg) = hc/ lamda  = 1240/532 (eV) = 2.33 eV = 2.33/27.21 =  0.08559 a. u.

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here a link about LUMO/HOMO.
https://www.sciencedirect.com/topics/chemistry/homo-lumo-gap

Declan Hackett  Follow Following

here a link about LUMO/HOMO.
https://www.sciencedirect.com/topics/chemistry/homo-lumo-gap

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