Molecular Shape and Polarity - N-O Bond Length (A) 1.226...

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Molecular Shape and Polarity By Julian Remouns Lab Instructor: Pasquale Iacono October 29, 2007
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Results and Discussion: The shapes and polarities of molecules CH 3 Cl, PCl 5 , and NO 3 - were determined using the VSEPR model and verified using the Spartan software. Table 1-a: Bond Lengths in CH 3 Cl Bond C-H C-Cl Bond length (A) 1.078 1.785 Table 1-b: Bond Angles in CH 3 Cl Bond H-C-H H-C-Cl Bond Angle ( ° ) 110.47 108.45 Table 1-c: Partial Charges in CH 3 Cl Atoms C Cl H Partial Charge -0.222 -0.178 0.134 Magnitude of Dipole Moment in CH 3 Cl: 2.25 D -polar molecule Molecular Structure: Table 2-a: Bond Lengths in PCl 5 Bond P-Cl Bond Length (A) 2.082 Table 2-b: Bond Angles in PCl 5 Bond Cl-P-Cl (axial to equatorial) Cl-P-Cl (equatorial to equatorial) Bond Angle ( ° ) 90 120 Table 2-c: Partial Charges in PCl 5 Atom P axial Cl equatorial Cl Partial Charge 0.908 -0.312 -0.095 No Dipole Moment: nonpolar molecule Molecular Structure:
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Table 3-a: Bond Lengths in NO 3 - Bond
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Unformatted text preview: N-O Bond Length (A) 1.226 Table 3-b: Bond Angles in NO 3-Bond O-N-O Bond Angle ( ) 120 Table 3-c: Partial Charges in NO 3-Atom O (double bonded) O (single bonded) N Partial Charge-0.719-0.718 1.156 No Dipole Moment: nonpolar molecule Molecular Structure: The molecule, BrIC 6 H 9 O 2 was constructed to be used as the drug that would bind to the hypothetical receptor site. Lewis Structure: Length of molecule (from Br to I): 8.024 A Width of molecule (from single bonded O to H): 4.491A Partial Charges in molecule: Atom Br I O (2 lone pairs) O (1 lone pair) Partial Charge-0.255-0.184-0.805-0.820 Conclusion: Compared to the drug molecule constructed by another group, C 6 H 13 NOCl with Lewis Structure: Length of molecule: 7.842 A Width of molecule: 4.200 A BrIC 6 H 9 O 2 is theoretically a better fit for the receptor site....
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Molecular Shape and Polarity - N-O Bond Length (A) 1.226...

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