W2013CHM2311 Part 4b Notes

Which f 2p orbitals have the appropriate symmetry to

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Unformatted text preview: for OF Which of the symmetry- allowed orbital combina0ons are also energy- allowed? (Energy difference < 13 eV) 2py 2px 2pz 30.5 eV 13.7 eV energy - 15.9 eV 2s - 32.4 eV Symmetry and Energy Allowed InteracHons: O(2s)±F(2s) O(2px)±F(2px) O(2s)±F(2pz) 2px 2py - 18.7 eV O(2py)±F(2py) O(2pz) ±F(2pz) O(2pz)±F(2s) 2s O Atomic Orbitals 2pz - 46.4 eV F Atomic Orbitals Deriving Molecular Orbital Diagrams of Heteronuclear Diatomics; OF- Example: OF- Step 3: Draw molecular orbitals showing appropriate energies and shapes. A.  Nonbonding orbitals (those that do not interact) retain the energy and shape of the atomic orbital. B.  Bonding orbitals are lower in energy than the atomic orbitals. C.  An0bonding orbitals are higher in energy than the atomic orbitals. D.  Each molecular orbital will be more similar in appearance to the atomic orbital that has the greatest contribu0on to it (i.e., is closest to it in energy). Deriving Molecular Orbital Diagrams of Heteronuclear Diatomics; OF- 2py 2px 2pz energy - 15.9 eV 2px 2py 2pz - 18.7 eV 2s - 32.4 eV O Atomic Orbitals n.b. n.b. OF- MOs 2s - 46.4 eV F Atomic Orbitals p- Orbital Overlap in Homonuclear Diatomics: Three Types Bonding MOs ψMO = caϕA + cbϕB AnHbonding MOs ψ*MO = caϕA - cbϕB px , px overlap: side- to- side py , py overlap: side- to- side pz , pz overlap: end- to- end Due to unequal contribu0ons of atomic orbitals in a heteronuclear diatomic, the MOs will be distorted from the above shapes! MOs from p- Orbital Interac0ons σ* π* π* energy 2 px 2 py 2 pz -15.9 eV π π 2 px 2 py 2 pz -18.7 eV σ O OF- MOs F - MO Diagram for OF 2 σ* 2 π* 2 π* 2py 2px 2pz energy - 15.9 eV 1 π 1 π 1 σ 2px 2py 2pz - 18.7 eV 2s - 32.4 eV O Atomic Orbitals 2 n.b. 1 n.b. OF- MOs 2s - 46.4 eV F Atomic Orbita...
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