6.5. Comparison of Linear Combination of Atomic Orbitals and Valence Bond Methods
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A New "Bottom-Up" Framework for Teaching Chemical BondingTami Levy Nahum, Rachel Mamlok-Naaman, Avi Hofstein, and Leeor Kronik This article presents a general framework for bonding that can be presented at different levels of sophistication depending on the student's level and needs. The pedagogical strategy for teaching this model is a "bottom-up" one, starting with basic principles and ending with specific properties. Levy Nahum, Tami; Mamlok-Naaman, Rachel; Hofstein, Avi; Kronik, Leeor. J. Chem. Educ.2008, 85, 1680.
Atomic Properties / Structure |
Covalent Bonding |
Ionic Bonding |
Lewis Structures |
Materials Science |
MO Theory |
Noncovalent Interactions
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
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.
Werner and Jørgensen Bond TheoryDavid M. Whisnant, Laura Yindra This simulation begins in the period around 1870 when chemistry is beginning to be organized. The concept, introduced by Kekulé and Couper, of tetravalent carbon atoms capable of linking to each other has permitted the rise of structural concepts in organic chemistry.
Nomenclature / Units / Symbols |
Valence Bond Theory
The Evolution of Bond TheoryDavid M. Whisnant, Laura Yindra In chemistry lectures we have little time to discuss the history of chemistry. This simulation begins with the development of valence concepts in the 19th century. We will step back into the 19th century to see how theories of chemical combination changed during that time.
Nomenclature / Units / Symbols |
Valence Bond Theory
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.
