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1s g

4s u. 2p g. 3s g. 1p u. C. C. 2s u. 1s g. C-C. 4s u. 2p g. 3s g. 1p u. C. C. 2s u. 1s g. C-C. anti -bonding. anti -bonding. non-bonding. Two “lone pairs” but not equivalent!. non-bonding. bonding. Two “O-H bonds”. bonding. Mainly B 2p lcao’s.

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1s g

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  1. 4su 2pg 3sg 1pu C C 2su 1sg C-C

  2. 4su 2pg 3sg 1pu C C 2su 1sg C-C

  3. anti-bonding anti-bonding non-bonding Two “lone pairs” but not equivalent! non-bonding bonding Two “O-H bonds” bonding

  4. Mainly B 2p lcao’s Note p bonds! Mainly B 2s-F 2p lcao’s Mainly F 2s lcao’s

  5. z a1g y t1u eg eg x 3d t2g t2g 3p t1u a1g 3s eg eg t1u a1g . F Oh S valence orbitals (9) t1u F donor (sp) orbitals (6) a1g SF6 Instead of; . F 2p Because harder to draw

  6. a1g t1u eg eg t2g 3d t2g 3p t1u a1g 3s eg eg t1u a1g . F Oh t1u Bonding MO’s 8 e- gives 4 bonds! a1g SF6

  7. a1g t1u Two views: A) 4 bonds distributed over six S-F pairs B) 4 bonds (covalent ) + 2 “bonds” ionic (S6+-F-) 3p t1u a1g 3s eg eg t1u a1g t1u a1g SF6

  8. 3s Na I Br (-12.5 eV) Cl (-13.7 eV) F (-18.6 eV) F -

  9. 4p t1u a1g 4s eg 3d t2g 3rd row M, Valence Atomic orbitals eg t1u a1g : L Oh 6s-donors s ONLY, Like H or NH3 ML6

  10. Symmetry Adapted Group Orbitals for 6 s-donors

  11. t1u a1g eg 4p t1u a1g 4s eg t2g 3d t2g 3rd row M, Valence Atomic orbitals eg t1u a1g : eg L Oh t1u 6s-donors s ONLY, Like H or NH3 a1g ML6

  12. t1u a1g M-L s anti-bonding MO’s eg 4p t1u a1g 4s eg t2g 3d t2g 3rd row M, Valence Atomic orbitals eg t1u a1g eg : L Oh t1u 6s-donors s ONLY, Like H or NH3 M-L s bonding MO’s a1g ML6

  13. t1u a1g M-L s anti-bonding MO’s eg 4p t1u What is Do? a1g 4s eg t2g 3d t2g 3rd row M, Valence Atomic orbitals eg t1u a1g eg : L Oh t1u 6s-donors s ONLY, Like H or NH3 M-L s bonding MO’s a1g ML6

  14. Symmetry Adapted Group Orbitals for 6 p-donors

  15. t1u a1g M-L s anti-bonding MO’s eg 4p t1u a1g 4s eg t2g 3d t2g .. 12 L p orbitals t2g t2u L t1g t1u 3rd row M, Valence Atomic orbitals eg t1u a1g eg : L Oh t1u 6s -donors Like Cl- M-L s bonding MO’s a1g

  16. t1u a1g M-L s anti-bonding MO’s eg 4p t1u Effect on Do? a1g 4s t2g eg 3d t2g t2g t2u 12 L p orbitals t1g t1u t2g 3rd row M, Valence Atomic orbitals eg t1u a1g eg : L Oh t1u 6s -donors Like Cl- M-L s bonding MO’s a1g

  17. t1u a1g M-L s anti-bonding MO’s eg C O 4p t1u t2g 12 L  orbitals t2g t2u t1g t1u a1g 4s eg 3d t2g t2g t2g t2u 12 L p orbitals t1g t1u 3rd row M, Valence Atomic orbitals eg t1u a1g eg : L Oh t1u 6s -acceptors Like CO, CN- M-L s bonding MO’s a1g ML6

  18. eg eg eg t2g Do t2g Do t2g 12 L  orbitals Do eg eg eg t2g t2g t2g t2g 3d t2g 3d 3d t2g • 12 L orbitals t2g Case 1. L is p innocent (sigma donor only) Case 2. L is p base (sigma donor and p donor) Case 3. L is p acid (sigma donor and p acceptor)

  19. L a.o.’s M a.o.’s ML4 - D4h

  20. dx2-y2 dz2 dyz dxz dxy L a.o.’s M a.o.’s ML4 - D4h

  21. L a.o.’s M a.o.’s ML4 - D4h

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