Molecular Shape and Polarity

Molecular Shape and Polarity - Results and Discussion The...

Info icon This preview shows pages 1–2. Sign up to view the full content.

View Full Document Right Arrow Icon
Results and Discussion The program Spartan was first used to build molecules and to determine its bond lengths, bond angles, partial charges, dipole movement, and shape. Then, after learning how to utilize the program, a hypothetical drug was constructed that would fit a receptor site. When designing the drug, factors such as size and polarity were taken into consideration. First, NH 3 and SF 4 were constructed on Spartan and calculations were compared to given values in the laboratory manual. The obtained results were tabulated (Tables 1 and 2). Table 1: Properties of NH 3 Molecule Bond length (Å) Bond angles (º) Partial charge (C) Dipole movement (D) Shape NH 3 (N-H) 1.012 (H-H) 1.653 (H-N-H) 109.47 (N-H-H) 35.26 Trigonal planar NH 3 (after minimizing to optimize) (N-H) 1.003 (H-H) 1.614 (H-N-H) 107.21 (H) 0.364 (N) -1.087 1.920 Trigonal planar Table 2: Properties of SF 4 Molecule Bond length (Å) Bond angles (º) Partial charge (C) Dipole movement (D) Shape SF 4 (S-F ax) 1.632 (S-F eq) 1.544 (F-S-F ax-eq) 86.85 (F-S-F eq-eq) 102.67 (S) 0.737 (F ax) -0.305 (F eq) -0.064 1.00 Tetrahedral Next, we found the properties of CH
Image of page 1

Info icon This preview has intentionally blurred sections. Sign up to view the full version.

View Full Document Right Arrow Icon
Image of page 2
This is the end of the preview. Sign up to access the rest of the document.

{[ snackBarMessage ]}

What students are saying

  • Left Quote Icon

    As a current student on this bumpy collegiate pathway, I stumbled upon Course Hero, where I can find study resources for nearly all my courses, get online help from tutors 24/7, and even share my old projects, papers, and lecture notes with other students.

    Student Picture

    Kiran Temple University Fox School of Business ‘17, Course Hero Intern

  • Left Quote Icon

    I cannot even describe how much Course Hero helped me this summer. It’s truly become something I can always rely on and help me. In the end, I was not only able to survive summer classes, but I was able to thrive thanks to Course Hero.

    Student Picture

    Dana University of Pennsylvania ‘17, Course Hero Intern

  • Left Quote Icon

    The ability to access any university’s resources through Course Hero proved invaluable in my case. I was behind on Tulane coursework and actually used UCLA’s materials to help me move forward and get everything together on time.

    Student Picture

    Jill Tulane University ‘16, Course Hero Intern