A pictorial approach to molecular bonding
著者
書誌事項
A pictorial approach to molecular bonding
Springer-Verlag, c1986
- U.S.
- Germany
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
With the development of accurate molecular calculations in recent years, useful predictions of molecular electronic properties are currently being made. It is therefore becoming increasingly important for the non-theoretically oriented chemist to appreciate the underlying principles governing molecular orbital formation and to distinguish them from the quantitative details as sociated with particular molecules. It seems highly desirable then that the non theoretician be able to deduce results of general validity without esoteric mathematics. In this context, pictorial reasoning is particularly useful. Such an approach is virtually indispensable if bonding concepts are to be taught to chemistry students early in their careers. Undergraduate chemistry majors typically find it difficult to formulate molecular orbital schemes, especially delocalized ones, for molecules more complicated than diatomics. The major reason for this regrettable situation is the general impracticability of teaching group theory before students take organic and inorganic courses, wherein the applications of these concepts are most beneficial. Consequently many students graduate with the misconcep tion that the ground rules governing bonding in molecules such as NH3 are somehow different from those which apply to aromatic systems such as C H • 6 6 Conversely, seniors and many graduate students are usually only vaguely, if at all, aware that sigma bonding (like extended pi bonding) can profitably be described in a delocalized manner when discussing the UV-photoelectron spectrum of CH , for example.
目次
1 The Orbital Picture for Bound Electrons.- 1.1 Traveling and Standing Waves.- 1.2 Wave Energy and Interference.- 1.3 Electron Orbitals.- 1.4 Normalization and Orthogonality.- 1.5 Systems with Many Electrons.- 1.6 Flexibility of Orbital Sets.- 2 Atomic Orbitals.- 2.1 Shapes of Canonical Orbitals.- 2.2 Sizes of Canonical Orbitals.- 2.3 Energies of Canonical AOs.- 2.4 Hybrid Orbitals.- 2.5 Hybrid Orbitals through s-p Mixing.- 2.6 Equivalent s1p1 Hybrid Orbitals.- 2.7 Equivalent sp2 Hybrid Orbitals.- 2.8 Equivalent sp3 Hybrid Orbitals.- 2.9 Intermediate Hybrid Orbitals.- 3 Diatomic Molecules.- 3.1 Molecule Formation and Motions.- 3.2 Generator and Molecular Orbitals.- 3.3 Generator Orbitals and Molecular Motions.- 3.4 Bond Strengths.- 3.5 Heteronuclear Diatomic Molecules.- 3.6 Localized MOs for Diatomic Molecules.- 4 Linear Triatomic Molecules.- 4.1 Linear FHF-.- 4.2 FXeF.- 4.3 OCO.- 4.4 Vibrational Modes for Linear Triatomics.- 5 Triangular and Related Molecules.- 5.1 H3+.- 5.2 N3+.- 5.3 Electron Dash Structures and Molecular Geometry.- 5.4 BF3.- 6 Bent Triatomic Molecules.- 6.1 H2O.- 6.2 NO2-.- 7 Polygonal Molecules.- 7.1 Te42+.- 7.2 c-C4 H4.- 7.3 c-C5H5-.- 7.4 c-C6H6, c-C 7H 7+, c-C8H82-.- 8 Octahedral and Related Molecules.- 8.1 ICl4-.- 8.2 BrF5.- 8.3 B5H9.- 8.4 PF6-.- 8.5 Octahedral Transition Metal Complexes— Some Special Considerations.- 8.6 CoF 63- and Co[P(OCH3)3]63+.- 8.7 B6H62-.- 8.8 Mo6 Cl 84+.- 9 Tetrahedral and Related Molecules.- 9.1 PnH3.- 9.2 P4.- 9.3 CH4.- 9.4 PO43-.- 9.5 VCl4-.- 10 Bipyramidal and Related Molecules.- 10.1 BrF3.- 10.2 SF4.- 10.3 B5H52-.- 10.4 PF5.- 10.5 IF7.- 11 Prismatic Molecules.- 11.1 C6H6 (Prismane).- 11.2 C8H8 (Cubane).- 11.3 (?5-C5H5)2Fe.- Appendix I Symmetry, Molecular Orbitals, and Generator Orbitals.- Appendix II A Kit forVisualizing MOs in Three Dimensions.- Appendix III Hybrid GOs and Non-Cooperating Central Atoms.- Appendix IV Calculating the Angles for Conal Nodes.- Appendix V A Summary of Uses for Generator Orbitals.
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