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Lab Report 3 - John Xu Experiment 3 Molecular Shape and...

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John Xu 3/2/07 Experiment 3: Molecular Shape and Polarity 1. Data Collected in Part I NH 3 N-H Bond Length: 1.012 Å H-N-H Bond Angle: 109.47 ° N-H-H Bond Angle: 35.26 ° N-H Bond Length (Lowest Energy): 1.003 Å H-N-H Bond Angle (Lowest Energy): 107.21 ° Dipole Magnitude: 1.92 D SF 4 Axial S-F Bond Length: 1.632 Å Equatorial S- F Bond Length: 1.544 Å Axial- Equatorial F- S-F Bond Angle: 86.85 ° Equatorial- Equatorial F- S-F Bond Angle: 102.67 ° Dipole Magnitude: 1.00 D Partial Charges: S: 0.737 Axial F: -0.305 Equatorial F: -0.064 2. Data Collected in Part II CHCl 3 C-H Bond Length: 1.071 Å C-Cl Bond Length: 1.763 Å Cl-C-Cl Bond Angle: 111.3 ° Cl-C-H Bond Angle: 107.58 ° Dipole Magnitude: 1.35 D Partial Charges: C: 0.212 Cl: -0.113 H: 0.128 PF 5 Equatorial P-F Bond Length: 1.535 Å Axial P-F Bond Length: 1.568 Å Axial- Equatorial F-P-F Bond Angle: 90 ° Axial-Axial F-P-F Bond Angle: 180 ° Equatorial- Equatorial F-P-F Bond Angle: 120 ° No Dipole Partial Charges: P: 1.473 Axial F: -0.353 Equatorial F: -0.256
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SO 3 2- S-O Bond Length: 1.525 Å O-S-O Bond Angle: 107.67 ° Dipole Magnitude: 0.85 D Partial Charges: S: -0.008 O: -0.664 These results were consistent with the predictions from prelab question 1. All of the
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