6 Molecular Shape and Polarity Results and Discussions

6 Molecular Shape and Polarity Results and Discussions -...

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Unformatted text preview: Results and Discussion: The experiment was implemented in order to become acquainted with the Spartan program, used in determining shapes and polarities of several molecules, and to create a theoretical molecule that would be able to react with the fictional receptor given in the laboratory manual. In order to become acquainted with the Spartan program, a molecule of NH 3 was constructed and the corresponding bond angles and bond length were recorded (Table 1): Table 1: NH 3 Specific Characteristic of the Molecule Observation N-H Bond Length 1.012 H-N-H Bond Angle 109.47109.5 N-H-H Bond Angle 35.26 Using the Spartans program feature of Minimize, the NH 3 molecule was optimized to have the lowest possible energy. The corresponding bond length, bond angles, partial charges, dipole moment magnitude, structure and shape were recorded (Table 2): Table 2: Optimized NH 3 Specific Characteristic of the Molecule Observation N-H Bond Length 1.003 H-N-H Bond Angle 107.18 N-H-H Bond Angle 35.26 Partial Charge of H .364 Partial Charge of N-1.087 Dipole Moment Magnitude 1.92 D Shape Tetrahedral Structure Using similar procedures as those for NH 3, the molecule of SF 4 was optimized and the corresponding bond length, bond angles, partial charges, dipole moment magnitude, structure and shape were recorded (Table 3): Table 3: Optimized SF 4 Specific Characteristic of the...
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This note was uploaded on 03/10/2008 for the course CHEM 2070 taught by Professor Chirik,p during the Fall '05 term at Cornell University (Engineering School).

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6 Molecular Shape and Polarity Results and Discussions -...

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