Molecular Shape and Polarity

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

Info icon This preview shows pages 1–3. Sign up to view the full content.

Molecular Shape and Polarity By Jared Hartzman Lab Instructor: Andrei Albulescu November 7, 2008
Image of page 1

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

Results and Observations: A. To determine the shapes and polarities of a number of molecules using the VSEPR model. With the help of the software program Spartan, the agreement between the VSEPR model and the quantum mechanical calculations produced by Spartan will be examined. And lastly a drug molecule is to be designed that will believably bind with a hypothetical receptor site. B. This experiment was divided into three parts; A, B, and C. Part A: 1. Spartan quantum mechanics calculations: a) NH3 Distance from: H – N = 1.012 Ȧ b) H – H = 1.653 Ȧ Angle: H – N – H = 109.47˚ c) N – H – H = 35.26˚ d) After Optimizing the Molecule: Distance from: H – N = 1.003 Ȧ e) H – H = 1.665 Ȧ Angle: H – N – H = 107.21˚ f) This angle was smaller than the angle measured earlier. Dipole: The dipole moment pointed towards the lone pair and had a magnitude of 1.92 Debye.
Image of page 2
Image of page 3
This is the end of the preview. Sign up to access the rest of the document.
  • Fall '09
  • Atom, Molecule, Computational chemistry

{[ 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