ChemViz

Lab Activities

Z-Matrix Lab Procedure:


Home

Z-Matrices

Z-Matrix Main Page

Students

  • Introduction
  • Objectives
  • Background Reading
  • Procedure
  • Questions
  • Further Work
  • References/Support Materials

    Teachers

  • Additional Background
  • Materials
  • Standards
  • First year chemistry curriculum concepts
  • Second year chemistry curriculum concepts

    Cartesian Converter Materials

  • Z-matrix to Cartesian Converter
  • Cartesian Converter Example
  • Help Instructions for the Z-matrix to Cartesian Converter

    Readings

  • Overview
  • Atomic Orbitals

    Lab Activities

  • Z-matrices
  • Basis Sets
  • Geometry Optimizations
  • Ionization Energies

    Support Materials

  • Interactive Tools
  • Glossary of Terms

    Related Links

  • ChemViz
  • Computational Chemistry
  • SUCCEED's Computational Chemistry

    Developers' Tools

  • What's New?
  • Discussion Board
  • Team Members
  • Email the Group


  • Contact Webmaster

  • Procedure:

    Part I: Ethylene

    1. First, we are going to create the z-matrix for ethylene. Below are three pictures of an ethylene molecule. In the second picture, notice how all the atoms are on the same plane. The third picture is a diagram with the symbols of the atoms in the molecule.

    2. Using these diagrams and the reference charts above, construct the z-matrix for the ethylene molecule.
    3. Now use the Z-Matrix to Cartesian Coordinate Conversion Pageat http://www.shodor.org/chemviz/zmatrices/babel.html to convert your z-matrix to cartesian coordinates.

    Part II: Propene

    1. Next, we will create the z-matrix for propene. Once again, you are permitted to use the above reference charts and the following diagrams.
    2. Again, convert your z-matrix to cartesian coordinates. http://www.shodor.org/chemviz/zmatrices/babel.html

    Part III: 1,2-Difluro-1,2-difluro-1,2-dichloroethane

    1. Finally, we will look at 1,2-difluro-1,2-dichloroethane. As in the previous examples, use the reference charts and following diagrams.

    2. Convert your z-matrix to cartesian coordinates. http://www.shodor.org/chemviz/babel.html


    Developed by
    Shodor logoThe Shodor Education Foundation, Inc.
    in cooperation with the
    National Center for Supercomputing Applications

    © Copyright 1999-2000 The Shodor Education Foundation, Inc.