lab 7 - Molecular Shape and Polarity By Robert Dutchen Lab...

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Molecular Shape and Polarity By Robert Dutchen Lab Instructor: Samik Jhulki November 1, 2010
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Purpose: To determine the shape and polarity of various molecules using the VSEPR program and to construct a hypothetical drug model Procedure: An ammonium molecule was built and the bond lengths and angles were recorded. After optimization the lengths and angles were again taken. The dipole moment was calculated along with the direction of the arrow. An SF 4 molecule was then built and the same procedure was followed. Molecules of CH 3 Cl, PCL, and NO 3 - were then constructed and optimized, with similar data recorded for all. Finally through trial and error a drug molecule which could interact with the hypothetical receptor site given was constructed, and then compared with another group’s model. Results/Data: Ammonia: N-H length = 1.012 Å for all three bonds H-H length = 1.653 Å H-N-H angle = 109.47° for all three angles N-H-H angle = 35.26° After optimization, N-H length = 1.003 Å for all three, H-N-H angle = 107.21° for all
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This note was uploaded on 11/16/2010 for the course ACCT 120xC taught by Professor Dr.lillie during the Spring '10 term at UCLA.

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lab 7 - Molecular Shape and Polarity By Robert Dutchen Lab...

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