Chem lab 6 what a bitch

Chem lab 6 what a bitch - Experiment 6 Molecular Shape and...

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Experiment 6: Molecular Shape and Polarity By Chris Bostick Lab Instructor Chris Sgro October 28, 2005
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Results and Discussions: The goal of this experiment was to compare predictions based on VSEPR model with quantum mechanical calculations to determine the shape and polarity of a number of molecules. Using predictions based on VSEPR prior to the lab, a comparison was taken using quantum mechanical calculations on a computer program called CAChe. Using all of this information, a drug was constructed to react with the model presented in Figure 6.1 in the lab book. Part A The program was tested using NH 3 and NO 3 - as examples. After building NH3 using the tools, it was necessary to use Beautify | Comprehensive to force the bond angles to achieve the ideal value for the central atom. The angle was similar to the VSEPR prediction. Then the length of the bonds were measured and found to be equal to the information given in Table 3.1 in the lab book. The following measurements were the ones obtained before optimization. NH 3 Model Atoms Bond Angle H-N-H 109.47 degrees Atoms Bond Length N-H 1.02 Angstroms H-H 1.67 Angstroms After the figure was optimized under “optimized geometry” settings the following measures were obtained. Atoms Bond Angle H-N-H 106.9 degrees Atoms Bond Length N-H 1.014 Angstrom The following partial charges were obtained using View | Partial Chg & Calc. Bond
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This note was uploaded on 03/30/2008 for the course CHEM 2080 taught by Professor Davis,f during the Spring '07 term at Cornell.

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Chem lab 6 what a bitch - Experiment 6 Molecular Shape and...

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