W2013CHM2311 Part 4d Notes

C2 c2 h h c h h c2 c2 pz c2 px py mo diagram of

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Unformatted text preview: a0on axis Step 3: Determine GOs for terminal atoms ⤷  can determine the GOs by imagining the combina0on of two H2 molecules Step 4: Assign symmetry labels using D4h character table. y x Square Planar AH4 D4h E 2 C4 C2 2 C2’ 2 C2” i 2S4 σh 2 σv 2 σd A1g 1 1 1 1 1 1 1 1 1 1 A2g 1 1 1 -1 -1 1 1 1 -1 -1 Rz B1g 1 -1 1 1 -1 1 -1 1 1 -1 x2-y2 B2g 1 -1 1 -1 1 1 -1 1 -1 1 xy Eg 2 0 -2 0 0 2 0 -2 0 0 (xz, yz) A1u 1 1 1 1 1 -1 -1 -1 -1 -1 A2u 1 1 1 -1 -1 -1 -1 -1 1 1 B1u 1 -1 1 1 -1 -1 1 -1 -1 1 B2u 1 -1 1 -1 1 -1 1 -1 1 -1 Eu 2 0 -2 0 0 -2 0 2 0 0 x2+y2, z2 z (x, y) y x A1g Eu B1g Extending to Tetrahedral AH4 These three orbitals have the same shape! Tetrahedral AH4 Td E 8C3 3C2 6S4 6σd A1 1 1 1 1 1 A2 1 1 1 - 1 - 1 E 2 - 1 2 0 0 (2z2- x2- y2, x2- y2) T1 3 0 - 1 1 - 1 (Rx, Ry, Rz) T2 3 0 - 1 - 1 1 (x, y, z) (xy, xz, yz) A AOs: H SALCs: A1 T x2+y2+z2 Tetrahedral AH4 For tetrahedral point groups, combining the GOs with the correct AOs of the central atom may be more clear if they are considered inside a cube and the C2 rota0on axis is considered. C2 C2 H H C H H C2 C2 pz C2 px py MO Diagram of Tetrahedral AH4 C...
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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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