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An introduction to molecular orbitals

Author: Yves Jean; François Volatron; Jeremy K Burdett
Publisher: New York : Oxford University Press, 1993.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:

This is an up-to-date introduction to the most fundamental ideas of molecular orbital theory. It first presents the elementary ideas of molecular orbital theory and then builds on these ideas,  Read more...

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Genre/Form: Einführung
Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Yves Jean; François Volatron; Jeremy K Burdett
ISBN: 0195069188 9780195069181
OCLC Number: 27266237
Description: xiv, 337 pages : illustrations ; 24 cm
Contents: I. Introduction to Atomic and Molecular Structure. 1. From the periodic table to molecules. 1.1. The periodic classification. 1.2. Lewis' theory and Lewis structures. 1.3. Resonance or mesomerism. 1.4. Molecular geometry. 2. Properties of atoms. 2.1. Elements of quantum mechanics. 2.2. The hydrogen atom. 2.3. Many-electron atoms. 2.4. The periodic classification of the elements. 2.5. Electronic parameters of many-electron atoms. 2.6. Evolution of atomic properties --
II. Building Up Molecular Orbitals and Electronic Structure. 3. Interaction of two atomic orbitals on different centers. 3.1. Basic approximations. 3.2. Construction of MOs. 3.3. Application to some simple diatomic molecules. 3.4. Overlap and symmetry. 3.5. Application of symmetry ideas to some polyatomic molecules. 4. The fragment orbital method; application to some model systems. 4.1. Molecular orbitals of some model systems, H[subscript n]. 4.2. Influence of electronegativity on the form and energy of the molecular orbitals. Appendix: Degenerate orbitals. 5. Interactions between two fragment orbitals: linear AH[subscript 2], trigonal AH[subscript 3], and tetrahedral AH[subscript 4]. 5.1. Linear AH[subscript 2] molecules. 5.2. Trigonal planar molecules. 5.3. Tetrahedral AH[subscript 4] molecules. Appendix: Analogous orbitals. 6. Interactions between three fragment orbitals: AH, bent AH[subscript 2] and pyramidal AH[subscript 3]. 6.1. Rules for the interaction of three orbitals. 6.2. Electronic structure of AH molecules. 6.3. Bent AH[subscript 2] molecules. 6.4. Pyramidal AH[subscript 3] molecules. 7. Interactions between four fragment orbitals: the diatomic molecules A[subscript 2] and AB. 7.1. Homonuclear diatomics, A[subscript 2]. 7.2. Heteronuclear diatomic molecules, AB. Appendix: The number of bonds (bond order) in diatomic molecules. 8. Large molecules. 8.1. MOs of acetylene, ethylene and ethane. 8.2. Conjugated polyenes. Appendix: Bond localization --
III. Introduction to the Study of the Geometry and Reactivity of Molecules. 9. Orbital correlation diagrams: the model systems H[subscript 3][superscript +] and H[subscript 3][superscript -]. 9.1. Rules for drawing orbital correlation diagrams. 9.2. Orbital correlation diagram for bending H[subscript 3]. 9.3. Geometry of H[subscript 3][superscript +]. 9.4. Geometry of H[subscript 3][superscript -] and the rule of the highest occupied MO. 10. Geometry of AH[subscript 2] and AH[subscript 3] molecules. 10.1. AH[subscript 2] molecules. 10.2. AH[subscript 3] molecules. 10.3. Extension to more complex molecules. 11. Molecular geometry using fragment molecular orbitals. 11.1. Two- and four-electron interactions. 11.2. Model examples of H[subscript 3][superscript +] and H[subscript 3][superscript -]. 11.3. Hyperconjugation. 11.4. The s-cis and s-trans conformations of butadiene. 12. An introduction to the study of chemical reactivity. 12.1. Description of a chemical reaction. 12.2. The frontier orbital approximation. 12.3. Cycloaddition reactions. 12.4. Further aspects of the [2 + 2] cycloaddition. 12.5. Examples of ionic reactions --
IV. Problems. Problem 1. Stabilization of a planar tetravalent carbon atom via [pi] effects. Problem 2. Nucleophilic attack on a carbonyl group. Problem 3. Structure and reactivity of substituted cyclopropanes. Problem 4. Conformational consequences of hyperconjugation.
Other Titles: Orbitales moleculaires.
Responsibility: by Yves Jean and François Volatron ; translated and edited by Jeremy Burdett.
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Will be ideal for chemistry students at all levels. New Technical Books - The NY Public Library, Jan/Feb 94

 
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