lab4-disc - Experiment 4: Using Molecular Modeling Software...

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Experiment 4: Using Molecular Modeling Software to Compute Molecular Orbitals Name: Fletcher Dostie Experiment Performed: 2/8/09 Turned in: 2/9/09 “I commit to uphold the ideals of honor and integrity by refusing to betray the trust bestowed upon me as a member of the Georgia Tech community.”
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(1) The molecular orbital diagrams obtained were very similar to the ones in the textbook. The N 2 diagram shows all the normal orbital energies of a simple diatomic molecule, with 2 π bonds and one σ bond formed. It also shows the unoccupied π* and σ* orbitals. The HCl diagram, however, appeared different because of its two different atoms. There is no diagram in the textbook for these different electron orbitals combining. (2) In the N 2 molecule, all the molecular orbitals are π and σ orbitals. In the HCl molecule, most of the electrons are in ordinary p or s orbitals. One pair of electrons is in a σ orbital formed by a 1s and 2p orbital. However, both molecules are stable because of p orbitals changing into lower energy σ orbitals. (3) For N
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lab4-disc - Experiment 4: Using Molecular Modeling Software...

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