02 - Chemistry 2000 Lecture 2: H2 Marc R. Roussel The...

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Chemistry 2000 Lecture 2: H 2 Marc R. Roussel
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The molecular orbitals of H 2 I When we add a second electron, it becomes impossible to solve the electronic Schr¨odinger equation exactly. (Recall that we had the same problem with the helium atom.) I In order to gain some insight into the molecular orbitals ( MOs ) of H 2 , consider the following limits: I If the separation between the nuclei, R , is large, then we should have the equivalent of two hydrogen atoms, i.e. MO 1s A 1s B A B I If we imagine pushing the nuclei together, we would have two electrons and a single centre of positive charge of charge +2, i.e. the equivalent of a helium atom. Then MO = 1s(He)
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LCAO-MO theory I Since the MO can be described in terms of atomic orbitals (AOs) in some special limits, we may be able to approximate the MOs of H 2 using AOs in general . LCAO-MO: This term applies to an approximate MO constructed as a Linear Combination of Atomic Orbitals . I For the H 2 ground-state MO, add -→ Note: Colors are used to distinguish the AOs from the two atoms, not to indicate phases.
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Sigma bonding orbital I Here is a plot of the atomic and molecular orbital
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This note was uploaded on 03/03/2012 for the course CHEM 2000 taught by Professor Roussel during the Fall '06 term at Lethbridge College.

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02 - Chemistry 2000 Lecture 2: H2 Marc R. Roussel The...

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