Chem Notes on Spectroscopy

Chem Notes on - Chemistry 416 Symmetry and the Interaction of Orbitals or States All orbitals and states must have the symmetry of one of the

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Chemistry 416 Symmetry and the Interaction of Orbitals or States All orbitals and states must have the symmetry of one of the irreducible representations of the point group of the molecule. This holds for all orbitals of the central atom (if there is one), and for any symmetry-adapted-linear- combinations of orbitals (SALCs). For two orbitals or two states to interact, they must have the same symmetry (the same irreducible representation). Any two orbitals or states that have the same symmetry will likely interact and mix. The overlap of two orbitals is given by ± ² 1 | ² 2 ³ ´ µµµ² 1 * ² 2 dx dy dz The respresentation for [ ² 1 ² 2 ] is the representation of ² 1 times the representation of ² 2 . When we integrate over all space, the integrand ² 1 ² 2 must have a 1 symmetry or else the integral will be zero. Here’s why: What if the integrand didn’t have a 1 symmetry, and changed sign about some mirror plane? Then when we integrate over all space, the result from one side of the mirror will cancel the result on the other side. For ² 1 ² 2 to be a 1 , ² 1 must have the same representation as ² 2 .
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Chem416 Energies and Spectroscopies 3x10 8 10 Hz cm NMR 100 cm 1 Å 10 3x10 3x10 3x10 3x10 -2 10 12 14 16 -1 1 100 3x10 20 3x10 18 10 10 8 10 6 10 4 1 cm 0.1 mm IR 1 micron EPR 100 nm 0.01 Å Vis
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This note was uploaded on 05/26/2010 for the course CHEM 416 taught by Professor Staff during the Fall '08 term at University of Washington.

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Chem Notes on - Chemistry 416 Symmetry and the Interaction of Orbitals or States All orbitals and states must have the symmetry of one of the

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