Diatomic Molecules
Analysis of the Vibrational Spectrum of a Linear Molecule JCE
Richard W. Schwenz, University of Northern Colorado
William F. Polik, Hope College
Sidney H. Young, University of South Alabama
This document provides a moderately interactive tutorial describing the analysis of vibrational frequencies obtained from the infrared spectrum of hydrogen chloride.
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.
Exploring the Morse Potential JCE
Theresa Julia Zielinski, Monmouth University
The goal of the 'Exploring the Morse Potential' document is to provide hands on practice with the Morse potential energy function and the units used for calculating this potential. In the document is a step-by-step description of how to create the Morse potential function for HCl.
H2+ MO Bonding and AntiBonding Orbitals
Robert Zschocher, University of North Carolina Charlotte
Fowler S. Bush, University of North Carolina Charlotte
Jordan C. Poler, University of North Carolina Charlotte
To introduce students toMO Theory by use of theone-electron hydrogen molecule ion, H2+. The essential features of bonding of this molecule can be used as a guide to the structures of more complex molecules. Studentsfamiliarity with functions related to the linear combination of atomic orbitals andmolecular orbitals and studyhow variation in the distance between the hydrogen atoms affects the shape of the contour diagram, and the consequent bonding energy.
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.
The Iodine Spectrum JCE
George Long, Indiana University of Pennsylvania
Theresa Julia Zielinski, Monmouth University
The goal of this document is to present a systematic development of the relationship between spectroscopic experiments and the determination of molecular bond lengths in the excited state of diatomic molecules for which a high resolution vibronic spectrum is available. This document can serve as a template for students to use for data analysis of the UV-vis spectrum of I2 or other diatomic gases.
The Morse Oscillator
Kevin Lehmann, Princeton University
In this worksheet, we find a presentation of the vibrational motion of a diatomic molecule held together with a potential function of a special form known as the Morse Potential. Both the classical and quantum motion of the oscillator will be studied, and explicit expressions for eigenenergies and wavefunctions are given The effect of rotation is also discusses. The document contains embedded 20 exercises and 4 advanced problems for users to test their mastery of the topic.
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.