| Other Resources: 9 results |
Interactive Molecular Orbital Diagrams William F. Coleman
Here is an application for constructing the molecular orbital electron configurations of heteronuclear diatomic molecules. Energy level diagrams are given for the two different cases encountered in heteronuclear diatomics of the first short period (Li2 - Ne2). This is a useful tool for having students explore questions of bond order, magnetic properties and numbers of unpaired electrons.
Covalent Bonding |
MO Theory |
Enrichment / Review Materials
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Heteronuclear Diatomic Molecular Orbital Formation William F. Coleman
Here is a set of movies that demonstrates heteronuclear diatomic molecular orbital formation. The orbitals start at a distance where there is little or no interatomic interaction and move to the appropriate bond distance. Orbital phase is shown by the different colors.
Covalent Bonding |
MO Theory |
Enrichment / Review Materials
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Interactive Molecular Orbitals William F. Coleman
The majority of Introductory Chemistry texts provide students with an adequate introduction to the visual aspects of the molecular orbital model for homonuclear diatomic molecules. The treatment of heteronuclear diatomic and polyatomic molecules is less uniform. Heteronuclear diatomics, when mentioned, are invariably treated as being derived from homonuclear diatomics. While the atomic orbital energy level differences in heteronuclear diatomics is sometimes pictured, the consequences of those differences for the resultant molecular orbitals are rarely discussed. The discussion of polyatomic molecular orbitals in these texts is limited to showing that parallel p-orbitals produce delocalized pi molecular orbitals. The molecules typically mentioned in this context are benzene, nitrate ion and carbonate ion. However, It is rarely pointed out that the six p-orbitals in benzene would form 6 pi molecular orbitals, and that only one of these orbitals would look like the picture in the text.These interactive modules are designed to clarify this subject.
MO Theory
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Molecular Orbitals Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
MO Theory |
Magnetic Properties
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Delocalized Electrons Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
Resonance Theory |
MO Theory
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Hybrid Orbitals Ed Vitz, John W. Moore
A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
Molecular Properties / Structure |
MO Theory
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Hückel Determinant Solver Robert M. Hanson
Generates energy diagrams for simple Hückel molecular orbital systems using JavaScript. You can specify the determinant or select one for a specific compound from a list.
Computational Chemistry |
MO Theory |
Theoretical Chemistry |
Enrichment / Review Materials
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Inorganic Molecules; A Visual Database Charles E. Ophardt, Evan M. Davis, Dustin Underwood
Inorganic Molecules: A Visual Data Base contains text and graphics describing 66 molecules and ions commonly used as examples in general chemistry courses. For each molecule, fifteen molecular properties are presented visually by eight or nine different molecular models created by the CAChe Scientific Molecular Modeling program.
Atomic Properties / Structure |
MO Theory |
Molecular Properties / Structure
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Restricted Hartree-Fock SCF Calculations Using Microsoft Excel Mark A. Freitag, Cortney A. Boots, Taylor R. Page
Courses in computational chemistry are increasingly common at the undergraduate level. Excellent user-friendly programs, which make the execution of ab initio calculations quite simple, are available. However, there is a danger that the underlying SCF procedure (usually coupled with contracted Gaussian atomic orbital basis sets) can become a ?black box? for the student. This Microsoft Excel spreadsheet contains all the essential elements of far more complicated ab initio calculations, but on the simplest possible molecular system.
Computational Chemistry |
Mathematics / Symbolic Mathematics |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry
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