W2013CHM2311 Part 4a Notes

52 0 1 h2 has a single bond he2 bond order 052

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Unformatted text preview: Assign electrons to the appropriate molecular orbitals following Auoau principle, Pauli exclusion principle, and Hund’s rule. ψ*MO = caϕ1sA  ­ cbϕ1sB Word of Warning!! Energy The final des0na0on of electrons in the MOs is en0rely independent of their original loca0on of those electrons. ΔE’ When assigning electrons to MOs, forget about what orbitals they came from!!! Simply, add according to Auoau Principle – each electron to the lowest energy orbital available. ΔE ϕ1sA ϕ1sB ψMO = caϕ1sA + cbϕ1sB Deriving MO Diagrams: H2 Step 5: Assign electrons to the appropriate molecular orbitals following Auoau principle, Pauli exclusion principle, and Hund’s rule. Energy ψ*MO = ϕ1sA  ­ ϕ1sB ϕ1sA ϕ1sB ψMO = ϕ1sA + ϕ1sB Stability of H2 Since each electron decreases in energy by ΔE, there is an overall reduc0on in energy of 2ΔE whe...
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This note was uploaded on 03/28/2014 for the course CHM 2311 taught by Professor Richardson during the Winter '09 term at University of Ottawa.

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