Crystals as Giant Molecules
Springer Berlin (Verlag)
978-3-540-08946-9 (ISBN)
I. General Results Concerning Molecules.- 1. The Molecular Orbitals.- 2. Localization of Molecular Orbitals and the Hybridization Concept.- 3. Shapes of Some Usual Hybrid Atomic Orbitals.- 4. Total Energy and Bond Energy.- 5. Prediction of Molecular Geometry.- 6. Fundamental Remarks Concerning the Alignment of Orbitals.- 7. Electron Charges and Bond Polarities.- II. Application to Crystals.- 1. The Two Large Classes of Crystals.- 2. Molecular Crystals.- 3. Three-dimensional Macromolecular Crystals.- 4. Note: The Coordination Number.- 5. Cohesive Energy in Tridimensional Macromolecular Crystals.- III. Electron Charges and Ionicity in Macromolecular Crystals.- 1. Methods of Calculating Electron Charges in Crystal.- 2. General Results.- 3. Definition of Bond-Ionicity in a Crystal.- 4. Application of the Ionicity Notion to the Determination of the Hardness of a Crystal.- 5. Application to the Determination of Electron Charges.- 6. Discussion of the Results.- 7. The Ionic Approximation.- 8. Deformation of Ions in the Ionic Model.- IV. The Crystal Arrangement.- 1. Preliminary Remarks.- 2. Inadequacy of the Classical Criterion Derived from the Ionic Radii Ratio.- 3. Quantum Study of Relative Stabilities of Various Arrangements in Alkali Halides.- 4. Cohesive Energy and Crystal Arrangement in Metals.- 5. Why is Lithium a Metal?.- 6. Why does Lithium adopt the bcc Arrangement?.- 7. Why does Cubium not exist?.- 8. Hydrogen.- 9. Copper, Silver, and Gold.- 10. Alkaline-earth Metals and Semi-metals.- 11. Transition Metals.- 12. Crystals Arrangements Allowing a Description in Terms of Localized Orbitals.- 13. Oxides Arrangements.- 14. Role of Hybridization.- 15. Importance of the Alignment of the Orbitals and Effects of Distortions.- 16. Conjugation Effect in Many Crystals.- V. Distortions Caused by the Existence of Faces and the Finite Sizes of Crystals.- 1. Classic Results and Few Recent Experimental Facts.- 2. Examples of Quantum Treatments.- 3. Vacancy Problem.- VI. External Shapes of Crystals.- 1. Metals.- 2. Other Crystals.- 3. Twin Crystals.- Conclusions and Various Outlooks.- Appendix A: The self-consistent field method and the Hückel approximation.- Appendix B: Expressions of hybrid atomic Orbitals.- Appendix C: An example of molecular orbital localization.- Appendix D: Mineral hardness - Improved Mohs scale.- References.- Formula Index.
Erscheint lt. Verlag | 1.9.1978 |
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Reihe/Serie | Lecture Notes in Chemistry |
Zusatzinfo | VIII, 136 p. |
Verlagsort | Berlin |
Sprache | englisch |
Maße | 155 x 235 mm |
Gewicht | 260 g |
Themenwelt | Naturwissenschaften ► Chemie ► Anorganische Chemie |
Naturwissenschaften ► Chemie ► Physikalische Chemie | |
Schlagworte | Atom • Copper • crystals • crystal structure • Gold • Kristallstruktur • Lithium • metals • Mineral • Molekülorbital • Quantum Chemistry • Silver • Structure • Transition metal |
ISBN-10 | 3-540-08946-2 / 3540089462 |
ISBN-13 | 978-3-540-08946-9 / 9783540089469 |
Zustand | Neuware |
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