Molecular Shape and Polarity - + + - H H--N H H N--H H O-H...

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Unformatted text preview: + + - H H--N H H N--H H O-H 4.97 8.04 Molecular Shape and Polarity 10/7/08 Results and Discussion Procedure The molecular shape and polarity along with the bond angles and bond lengths of the molecules were first predicted with the VSEPR theory model. These characteristics were then confirmed using the molecular modeling program Spartan. Partial charges and the exact dipole moment were also measured using Spartan. The program optimized the molecules by calculating the lowest energy state of the molecule. Finally, Spartan was used to construct a drug that would fit the predicted criteria. Observations These molecules were created using Spartan. NH 3 Before Optimization After Optimization Bond Length Bond Angle Bond Length Bond Angle N-H NH N-H NH 1.012 109.5 1.003 107.18 Dipole moment: 1.92D H = 0.36 N = -1.087 SF 4 Bond Length Bond Angle S-F eq 1.544 F ax SF eq 86.85 S-F ax 1.632 F ax SF ax 102.67 Dipole moment: 1.00D S = 0.737 F eq....
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Molecular Shape and Polarity - + + - H H--N H H N--H H O-H...

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