ChemDraw Lab (1)

ChemDraw Lab (1) - An Introduction to Molecular Modeling;...

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

View Full Document Right Arrow Icon
An Introduction to Molecular Modeling; Chem 3D Experiment Abstract: I used ChemBioDraw3D to investigate the features of butane. After building molecules and using MM2 to minimize energy, I finally figured out its most stable state. The dihedral driver in the program shows the total energy of the molecule. Introduction: The purpose of this experiment is to observe the conformational properties of alkanes. ChemBio3D Ultra provides the virtual 3D models of molecules. It has the software to find the most stable status of the molecules through the molecular mechanics model (MM2). MM2 looks for angles to conform to a minimum energy configuration. MM2 uses the effects of bond stretching, compression, bond bending, torsional strain, and Van der Waals interactions. Comparisons to standard values relieve as much stress as possible from these interactions, thus transforming the molecule into its most stable form. This software is very useful for chemists and biologists when they verify the stability of chemical compounds and biological complexes. Table of Reagents: Compound/Reagent MW (g/mol) Butane 58.12 2-chloro-butane 92.45 Procedure: After drawing the butane, the energy of the molecule was lowered by selecting each carbon in order. Second of all, go to “Calculations”, “MM2”, “Minimize Energy” , and hit
Background image of page 1

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

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

Page1 / 4

ChemDraw Lab (1) - An Introduction to Molecular Modeling;...

This preview shows document pages 1 - 2. Sign up to view the full document.

View Full Document Right Arrow Icon
Ask a homework question - tutors are online