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UCONN / Chemistry / CHEM 2241 / What does molecular model represent?

What does molecular model represent?

What does molecular model represent?

Description

School: University of Connecticut
Department: Chemistry
Course: Organic Chemistry
Professor: Anwar beshir
Term: Fall 2015
Tags: Organic Chemistry, 2241, and Spatial Arrangement
Cost: 25
Name: Organic Chemistry 2241 Spatial Arrangement of Atoms
Description: These notes cover how to show the spatial arrangement of atoms, Lecture pages 23-30
Uploaded: 02/08/2016
5 Pages 221 Views 0 Unlocks
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Showing the Spatial Arrangement of AtomsWe also discuss several other topics like Differentiate immigration and emigration.
We also discuss several other topics like What is the meaning of this symbol < ?

  • Skeletal structures are used to show molecules. The end of each line represents a carbon
  • Carbon and hydrogen are not written
  • Electron lone pair and formal charge are shown
  • If you want to show part of a structure, write it like this:
  • Molecular Models also represent organic molecules, which are 3D objects
  • The positively charged nucleus defines the atoms positions as Cartesian Coordinates (x, y, z)
  • A molecule’s size and shape is defined by its negatively charged electron cloud, or diffuse entity
  • Wireframe Models - are like a line drawing, and do not show the size of the atoms. Different colored lines represent different atoms
  • Ball and Stick Model - balls on the ends of sticks are different colors and size to represent different atoms
  • Space Filling Models - is composed of spheres of different colors and sizes, each representing an atom. The radil of the spheres is fixed, to accurately represent the amount of space a molecule takes up
  • If you rotate the atoms connected by a single bond, it creates a different spatial arrangement for the atoms. Doing this creates a conformational isomer
  • These isomers are
  • Staggered - bonds in the molecule are not parallel to one another
  • This is more stable because the bonds are further away from each other, which gives the molecule a lower energy. This might also be referred to as anti - periplanar
  • Eclipsed - bonds in the molecule are parallel to each other
  • This is less stable because the bonds are closer together, which gives the molecule a higher energy. This might also be referred to as syn - periplanar
  • Eclipsed is less stable because it has torsional strain caused by rotation, these can be represented by:
  • Perspective formula - wedge shows the atoms pointing towards you, dashed line shows what’s pointing away from you
  • Sawhorse projection - shows on an angle without the wedge and dashed lines
  • Newman projection: the intersection in the middle is the 1rst carbon that you would see if you were looking “down” the C - C bond. The large circle is the 2nd carbon you would see and the lines are the hydrogens attached to it
  • An Electrostatic Potential Map represents the distribution of charge in a molecule, which gives us information about the chemical and physical properties of the molecules, they consist of:
  • Electron Density Surface - the “outer skin” or “electron cloud” of the molecule
  • Electrostatic Potential Energy - A potential energy resulting from the coulombic energy felt by a point positive charge when put on the surface. It shows the electron density throughout a molecule
  • Potential Energy Surface (PES) - a plot showing that as tension angle changes, it causes the potential energy of the molecule to change as well
  • The maxima represents high potential energy due to the unstable molecules. Represents the rotational barriers
  • The minimal represent low potential energy, due to the stability of the molecules (because of their stable conformations
  • This graph represents ethane. It works for other alkanes, but each eclipsed and staggered would not be the same because the methyl groups they would have would be rotated into different positions - it would be uneven

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