Lab report 8 - Molecular Shape and Polarity By Richard...

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Molecular Shape and Polarity By Richard Salvagno November 1, 2009 Lab Instructor: Michael Coleman
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Purpose: Determine the shapes and polarities of a number of molecules using the VSEPR model. The shapes and polarities of these same molecules will also be determined via a software program that will perform the necessary quantum mechanical calculations. The agreement between the VSEPR model and the quantum mechanical calculations will be examined. Following this, a drug molecule that will interact favorably with a known receptor site will be created. Methods: Using the Spartan program on the provided laptop and the directions in the lab manual, models of NH 3 and SF 4 were constructed. In the program, the bond lengths, bond angles, molecular polarity, and partial charges were calculated and recorded for the two compounds. In the same program, models for CH 3 Cl, PCl 5 , and NO 3 - were also constructed. Their Lewis structures, formal charges, molecular shapes, and molecular polarities were compared to the VSEPR models that were created for each of the three compounds previously in the pre-lab assignment. Finally, a drug molecule was designed in the program so that it will interact with the hypothetical receptor site depicted in Figure 8.5 of the lab manual. The designed drug
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This note was uploaded on 04/25/2010 for the course CHEM 2080 taught by Professor Davis,f during the Spring '07 term at Cornell University (Engineering School).

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Lab report 8 - Molecular Shape and Polarity By Richard...

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