Consider the molecular orbital diagram below for carbon dioxide. Refer to the molecular orbitals using the letters on the far right of the diagram (a) Identify the HOMO to LUMO transition by reporting the initial and final orbitals for each transition. Then calculate the wavelength [in nanometers] and frequency [in Hz] for the photon involved in the transition if the energy change is 2.0 eV. (b) Identify the TT\PITT-to-TT\PITT* and n-to-T\pim* transitions by reporting the initial and final orbitals for each transition. Your textbook states than typical transition energies are 7eV (T\piTT-to-Tr\pim*) and 4 eV (n-to-r\piT“). Even though the diagram here does not give numerical values for energies, you can still make use of this typical behavior to give you confidence in your answers.

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Consider the molecular orbital diagram below for carbon dioxide. Refer to the molecular orbitals using the letters on the far right of the diagram
(a) Identify the HOMO to LUMO transition by reporting the initial and final orbitals for each transition. Then calculate the wavelength [in nanometers] and frequency [in Hz] for the photon involved in
the transition if the energy change is 2.0 eV.
(b) Identify the m\pitT-to-TT\piT* and n-to-TT\piTT* transitions by reporting the initial and final orbitals for each transition. Your textbook states than typical transition energies are 7eV (TT\piTT-to-TT\piTT*) and
4 ev (n-to-TT\pir*). Even though the diagram here does not give numerical values for energies, you can still make use of this typical behavior to give you confidence in your answers.
DFT BILYP 6-311++G(d.p)
G
2Px 2Py 2P
2P 2Py 2P
11
E
25
D
В
A
one pai
20
Transcribed Image Text:Consider the molecular orbital diagram below for carbon dioxide. Refer to the molecular orbitals using the letters on the far right of the diagram (a) Identify the HOMO to LUMO transition by reporting the initial and final orbitals for each transition. Then calculate the wavelength [in nanometers] and frequency [in Hz] for the photon involved in the transition if the energy change is 2.0 eV. (b) Identify the m\pitT-to-TT\piT* and n-to-TT\piTT* transitions by reporting the initial and final orbitals for each transition. Your textbook states than typical transition energies are 7eV (TT\piTT-to-TT\piTT*) and 4 ev (n-to-TT\pir*). Even though the diagram here does not give numerical values for energies, you can still make use of this typical behavior to give you confidence in your answers. DFT BILYP 6-311++G(d.p) G 2Px 2Py 2P 2P 2Py 2P 11 E 25 D В A one pai 20
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