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MO Diagrams for More Complex Molecules

MO Diagrams for More Complex MoleculesChapter 5 Friday, October 16, 20152s:A1 E (y)E (x)BF3- Projection Operator Method2py:A1 E (y)E (x)2px:A2 E (y)E (x)2pz:A2 E (y)E (x)boron orbitalsA1 A2 E (y)E (x)2s:A1 E (y)E (x)BF3- Projection Operator Method2py:A1 E (y)E (x)2px:A2 E (y)E (x)2pz:A2 E (y)E (x)boron orbitalsA1 A2 E (y)E (x)little overlapF 2sis very deep in energy and won t interact with eV eV eV eVBoron trifluoride *Boron Trifluoride nbnb * *a1 e a2 a2 A1 A2 E Energy eV eVA1 + E A1 + E A2 + E A2 +E eV eVdorbitals l= 2, so there are 2l+ 1 = 5 d- orbitals per shell, enough room for 10 electrons. This is why there are 10 elements in each row of the d-block. MOs for Octahedral Complexes1. Point group Oh2. The six ligands can interact with the metal in a sigma or pi fashion. Let s consider only sigma interactions for 3. Make reducible reps for sigma bond vectors MOs for Octahedral Complexes4.

• MO diagrams can be built from group orbitals and central atom orbitals by considering orbital symmetries and energies. • The symmetry of group orbitals is determined by reducing a reducible representation of the orbitals in question. This approach is used only when the group orbitals are not obvious by inspection.

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