Crystals as Giant Molecules: Lecture Notes in Chemistry, cartea 9
Autor A. Julgen Limba Engleză Paperback – sep 1978
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Specificații
ISBN-13: 9783540089469
ISBN-10: 3540089462
Pagini: 144
Ilustrații: VIII, 136 p.
Dimensiuni: 155 x 235 x 9 mm
Greutate: 0.23 kg
Ediția:Softcover reprint of the original 1st ed. 1978
Editura: Springer
Colecția Lecture Notes in Chemistry
Seria Lecture Notes in Chemistry
Locul publicării:Berlin, Heidelberg, Germany
ISBN-10: 3540089462
Pagini: 144
Ilustrații: VIII, 136 p.
Dimensiuni: 155 x 235 x 9 mm
Greutate: 0.23 kg
Ediția:Softcover reprint of the original 1st ed. 1978
Editura: Springer
Colecția Lecture Notes in Chemistry
Seria Lecture Notes in Chemistry
Locul publicării:Berlin, Heidelberg, Germany
Public țintă
ResearchCuprins
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.