lab #8 - Experiment #8: Molecular Shape and Polarity By:...

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Experiment #8: Molecular Shape and Polarity By: Yueyue Shen Instructor: Hasan Arslan Due Date: 11/4/09 Purpose:
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Determine the shapes and polarities of a number of molecules using VSEPR model. Create a drug molecule that will interact favorably with a known receptor site. Observation/Discussion: Part 1 & 2- NH3, SF4, CH3Cl, PCL5, and NO3- were built and optimized using the Spatar program, and the following results were obtained: Table1: Molecule Bond Length (Å) Bond angles in Degree NH3 (N-H)=1.003Å (H-N-H)=107.21 degree (N-H-H)=36.40 degree SF4 (S-F/axial)=1.637Å (S-F/equatorial)=1.551Å (F-S-F/axial-S-equatorial)=86.36 degree (F-S-F/axial-S-axial )=168.07 degree (F-S-F/equatorial-S- equatorial)=104.41 degree CH3Cl (C-Cl)=1.767Å (C-H)=1.092Å (Cl-C-H)=109.09 degree (H-C-H)=109.86 degree PCL5 (P-Cl/equatorial)=2.002Å (P-Cl/axial)=2.082Å (Cl-P-Cl/axial-P- equatorial)=90.00 degree (Cl-P-Cl)/equatorial-P- equatorial)=120.00 degree (Cl-P-Cl/axial-P-axial)=190.00 degree NO3- (N=O)=1.242Å
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lab #8 - Experiment #8: Molecular Shape and Polarity By:...

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