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Week 2 L1 Electronic States
Week 2 L1 Electronic States
Week 2 L1 Electronic States
PHOTOCHEMISTRY
WEEK 2, L-1
PRESENTED BY
Dr Shaista Taimur
DEPARTMENT OF CHEMISTRY
Fatima Jinnah Women University
Rawalpindi
PHOTOCHEMISTRY WEEK 2 L-1
Disclaimer:
TODAY’S OUTCOMES
• MOLECULAR ORBITALS (REVISION)
• BONDING, ANTIBONDING, NONBONDING
• FORMALDEHYDE- MOT
• HOMO, LUMO (FRONTIER MOs)
• TYPES OF ELECTRONIC TRANSITIONS AND STATES
• n → π*
• π → π*
• S0 → S1
• S0 → T 1
• Spin multiplicity of the ground state and excited states of methanal
• STATE DIAGRAM
PHOTOCHEMISTRY WEEK 2 L-1
Molecular Orbital Theory
PHOTOCHEMISTRY WEEK 2 L-1
Molecular orbitals
ψ*AB = ψA - ψB
ψAB = ψA + ψB
PHOTOCHEMISTRY WEEK 2 L-1
Molecular orbitals
PHOTOCHEMISTRY WEEK 2 L-1
FORMALDEHYDE
PHOTOCHEMISTRY WEEK 2 L-1
FORMALDEHYDE
PHOTOCHEMISTRY WEEK 2 L-1
PHOTON ABSORPTION-The possible electronic configurations that can occur in
ground - state and excited - state methanal molecules.
• The ground - state methanal has a closed
shell structure (occupied molecular
orbitals all contain two paired electrons)
• HOMO is the nonbonding n molecular
orbital localised on the O atom of the
carbonyl group
• LUMO is the antibonding π*molecular
orbital of the CO group.
• Neglecting the filled low - energy σ -
orbitals, the electronic configuration of the
lowest electronic state (the ground state) is
π2n2.
• n → π* (HOMO → LUMO) leads to π2nπ*
• π → π* leads to πn2π*excited
configurations.
PHOTOCHEMISTRY WEEK 2 L-1
Spin multiplicity of the ground state and excited states of methanal
• The ground state is a singlet state (S0)
• The excited states being either singlets (S1, S2, etc.) or triplets (T1, T2, etc.) (Figure 1.10 ).
PHOTOCHEMISTRY WEEK 2 L-1
For octahedral complexes of Ru(III), and other d6 ions, the σL and πL MOs are fully occupied and the ground - state
configuration is a closed shell because the HOMO πM is fully occupied ( t2g6 ). The ground state is a singlet state (S0),
with the excited states being either singlets or triplets (Figure 1.12 )
PHOTOCHEMISTRY WEEK 2 L-1
PHOTOCHEMISTRY WEEK 2 L-1
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