lab2-disc - Experiment 2 Using Molecular Modeling Software...

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Experiment 2: Using Molecular Modeling Software to Compare VSEPR to Molecular Shapes Name: Fletcher Dostie Experiment Performed: 1/24/09 Turned in: 1/26/09 “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) Of the bond angles tested for the water molecule, an angle of 100° had the lowest energy. This is near the bond angle of 120° given by VSEPR. Both methods predict an angle slightly greater than 90°. However, VSEPR predicted that each hydrogen atom and the electron pair on the oxygen atom would be uniformly arranged around the oxygen atom, while the simulation predicted that the hydrogen atoms would be closer. The VSEPR model predicts molecular shape by assuming molecules will take one of a set of specified geometries, while the quantum mechanical solution uses numerical methods to find the molecular shape that minimizes potential energy. (2) The dipole moment is greatest when the bond angle is near 120°.
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lab2-disc - Experiment 2 Using Molecular Modeling Software...

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