Home
Ionization Energy
Ionization Energy 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
Quick Guide to DISCO Output File
Related Links
ChemViz
Computational Chemistry
SUCCEED's Computational Chemistry
Developers' Tools
What's New?
Discussion Board
Team Members
Email the Group
Contact Webmaster
|
Basic:
- Ion - An atom or group of atoms which has a net charge, ie, there are not
enough electrons to properly balance out the charge of the nuclei. This
happens when an electron is added or ejected from the atom.
- Ionization energy is the amount of energy needed to eject an electron from
an atom.
- Some atoms have multiple ionization energies when they are able to add or
remove more than one electron.
- Ionization energies (IE) increase from bottom to top and from left
to right across the periodic table.
- Atomic size increase from top to bottom and from right to left across the
periodic table.
- Electron Affinity (EA) - the amount of energy needed to add an
electron to an atom.
- IE = EA
- EA = energy of the Lowest Unoccupied Molecular
Orbital (LUMO)
- Subtraction Method: IE = Energy of the ion - Energy of the neutral
atom
Advanced:
- Frontier Orbitals - a collective term for the Highest
Occupied Molecular Orbital (HOMO) and the Lowest
Unoccupied Molecular Orbital (LUMO)
- Frontier Orbitals help calculate electronegativity, hardness, and
aromaticity.
- Koopman's Theory: The IE is equal to the HOMO energy (this method
is exact for only hydrogenic atoms)
Back to Background Reading
|