George M. Shalhoub
Approximate Molecular Orbital Calculations for H2+
George M. Shalhoub, La Salle University
This document presents a solution to the H2+ ion Schrodinger equation using the Variational Method with all intermediate steps shown and many plots of functions. Many exercises focus on student learning. The document concludes with the plots of the molecular orbitals and the probability density functions.
Blackbody Radiation
George M. Shalhoub, La Salle University
Provides students with a hands on exploration of the BlackBody radiation concept and the functions used to describe that radiation.
Introduction to Franck-Condon Factors JCE
Theresa Julia Zielinski, Monmouth University
George M. Shalhoub, La Salle University
The background document contains a very brief introduction to Franck-Condon factors through a sequence of guided inquiry type exercises. Students use potential energy diagrams for a diatomic molecule to examine a transition from a ground electronic state to an excited electronic state including consideration of the vibrational levels of each state. The overlap of vibrational wave functions introduces Franck-Condon factors. All of the exercises in this document are done with pencil and paper as preparation for more detailed work to be done in the companion computational document The Franck-Condon Factors.
Properties of the Radial Functions
George M. Shalhoub, La Salle University
This Mathcad document provides exercises exploring the radial functions of the hydrogen atom. The document concludes with Slater Rules practice exercises for heavier atoms and an application to inorganic chemistry, SF6.
Vibronic Spectra of Diatomic Molecules and the Birge-Sponer Extrapolation JCE
Theresa Julia Zielinski, Monmouth University
George M. Shalhoub, La Salle University
The goal of this document is to examine the potential energy curve for both the ground and excited state of an electronic transition in order to set the stage for a Birge-Sponer determination of the Do and De dissociation energies of the excited state of a diatomic molecule from experimental UV-vis spectral data. After using this document students will be able to: explain the relationship between the potential energy curves for excited and ground states in a molecule; explain the significance of each parameter in a Morse potential energy function; and use a Birge-Sponer plot to determine dissociation energy of an electronic excited state of a diatomic molecule. IodineSpectrum.mcd, is the companion template for the analysis of the UV-vis spectrum of a diatomic molecule.