5.4 Sigma Molecular Orbitals and Molecular Geometry
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Lewis Structure Representation of Free Radicals Similar to ClOWarren Hirsch and Mark Kobrak An unconventional Lewis structure is proposed to explain the properties of the free radical ClO and a series of its isoelectronic analogues, particularly trends in the spin density of these species. Hirsch, Warren; Kobrak, Mark. J. Chem. Educ.2007, 84, 1360.
Atmospheric Chemistry |
Computational Chemistry |
Covalent Bonding |
Free Radicals |
Lewis Structures |
Molecular Modeling |
MO Theory |
Valence Bond Theory
Introducing the Practical Aspects of Computational Chemistry to Undergraduate Chemistry StudentsJason K. Pearson Presents a laboratory exercise in which students use traditional second-year concepts such as the rigid rotor and harmonic oscillator approximations in conjunction with Gaussian 03 to reinforce practical aspects of computational chemistry. Pearson, Jason K. J. Chem. Educ.2007, 84, 1323.
Computational Chemistry |
MO Theory |
Quantum Chemistry |
Theoretical Chemistry
The Mechanism of Covalent Bonding: Analysis within the Hückel Model of Electronic StructureSture Nordholm, Andreas Bäck, and George B. Bacskay Hckel molecular orbital theory is shown to be uniquely useful in understanding and interpreting the mechanism of covalent bonding. Using the Hckel model it can be demonstrated that the dynamical character of the molecular orbitals is related simultaneously to the covalent bonding mechanism and to the degree of delocalization of the electron dynamics. Nordholm, Sture; Bäck, Andreas; Bacskay, George B. J. Chem. Educ.2007, 84, 1201.
Interactive Molecular OrbitalsWilliam 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
Molecular OrbitalsEd Vitz, John W. Moore A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
MO Theory |
Magnetic Properties
Delocalized ElectronsEd Vitz, John W. Moore A section of ChemPrime, the Chemical Educations Digital Library's free General Chemistry textbook.
