Molecular Shape and Polarity

Molecular Shape and Polarity - Molecular Shape and Polarity...

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Molecular Shape and Polarity By: Andrew Corridore Lab Instructor: Claire Ralph October 29 th , 2007
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Results and Discussion: A computer program Spartan was used to design an organic molecule (medicine) that best fit a given receptor site. But before this was actually done, the program was tested by drawing molecules and observing them on the program. First the NH 3 molecule’s structure was drawn and optimized on the program. The program calculated the bond lengths, angles, partial charges, and molecular polarity. The following table shows the results. Table 1: NH 3 Molecule N-H bond lengths (angstroms) H-H bond lengths (angstroms ) H-N-H angles Bond Angles (degrees) Dipole Magnitude (D) Partial Charges NH 3 1.019 1.628 106.23 1.92 towards the lone pair electrons) N (-1.087) H (0.361) H (0.361) H (0.364) The following is drawing of the molecule: The molecules for SF 4 , CHCl 3, PF 5, SO 3 2- were drawn on the program in the same fashion. The results from Spartan are listed in the next table.
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  • Fall '05
  • CHIRIK,P
  • Mole, pH, Molecule, Ion, bond lengths, receptor site

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