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AR-BCCAB |
| 245 |
1 |
4 |
|a The chemical bond in inorganic chemistry :
|b the bond valence model /
|c I. David Brown.
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| 260 |
# |
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|a Oxford ;
|a New York :
|b Oxford University Press,
|c 2002.
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| 300 |
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|a x, 278 p. :
|b il. ;
|c 25 cm.
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| 504 |
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|a Bibliografía: p. [252]-270.
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| 505 |
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|a Machine generated contents note: I Theory -- 2 The ionic bond -- 2.1 Introduction -- 2.2 Crystal energy and the Coulomb field -- 2.3 How are the atom fragments chosen? -- 2.4 The Madelung field of a crystal -- 2.5 Bond networks and bond graphs -- 2.6 Coordination number -- 2.7 Conclusions -- 3 The bond valence model -- 3.1 Experimental bond valences and bond lengths -- 3.2 Empirical network equations -- 3.3 The bond valence model -- 3.4 The distortion theorem -- 3.5 Bond networks with non-bipartite graphs -- II Chemistry -- 4 Anion and cation bonding strengths -- 4.1 Bond graphs and coordination number -- 4.2 Anion bonding strength -- 4.3 Cation bonding strength -- 4.4 The valence matching principle -- 4.5 Hard and soft acids and bases -- 4.6 Applications of the valence matching principle -- 5 Liquids -- 5.1 introduction -- 5.2 Cation and anion bonding strength of water -- 5.3 Reactions of cations with water -- 5.4 Reactions of anions with water -- 5.5 Aqueous solubility -- 5.6 Aqueous solutions of soft ions -- 5.7 Non-aqueous solutions and melts -- 6 Cation coordination number -- 6.1 Introduction -- 6.2 Anion-anion repulsion -- 6.3 The strength of the anions -- 6.4 Other factors -- 6.5 Applying the different effects -- 7 Hydrogen bonds -- 7.1 Introduction -- 7.2 The role of anion-anion repulsion -- 7.3 The normal hydrogen bond -- 7.4 Strong hydrogen bonds -- 7.5 Weak hydrogen bonds -- 7.6 The structural chemistry of hydrogen bonds -- 7.7 Other types of hydrogen bonds -- 7.8 Assigning experimental bond valences to hydrogen bonds -- 8 Electronically distorted structures -- 8.1 The origins of electronic distortion -- 8.2 Non-bonding valence shell electrons -- 8.3 Transition metals -- 8.3.1 Jahn-Teller distorted cations -- 8.3.2 Transition-metal cations with empty or near-empty d shells -- 8.4 Conclusions -- 9 Physical properties of bonds -- 9.1 Introduction -- 9.2 Bond lengths and bond angles -- 9.3 Bond force constants and thermal vibrations -- 9.4 Thermal expansion -- 9.5 The variation of Ro with temperature -- III Solids -- 10 Space and space groups -- 10.1 Introduction -- 10.2 The crystal lattice and translational symmetry -- 10.3 Space groups -- 10.4 Special positions -- 10.5 Matching the special positions to the chemistry -- 10.6 The symmetry of bonded neighbours -- 10.7 Summary -- 11 Modelling inorganic structures -- 11.1 The problem of a priori modelling -- 11.2 Determining the topology -- 11.2.1 Space-based approaches -- 11.2.2 Chemistry-based approaches -- 11.2.3 Valence maps -- 11.3 Refining the geometry -- 11.4 Modelling defect structures -- 11.5 Modelling glasses -- 11.6 Summary -- 12 Lattice-induced strain -- 12.1 The origins of lattice-induced strain -- 12.2 Structures with lattice-induced strain -- 12.3 Relaxation of lattice-induced strains -- 12.3.1 Relaxation of the geometry -- 12.3.2 Relaxation by defects -- 12.3.3 Electronic relaxation -- 12.3.4 Relaxation of symmetry-displacive phase transitions -- 12.3.5 Changing the bond -- graph-reconstructive phase transitions -- 12.4 Incommensurate structures -- 12.5 Summary -- IV Applications and implications -- 13 Applications -- 13.1 Introduction r -- 13.2 Crystallography -- 13.2.1 Structure solution -- 13.2.2 Analysis of crystal structures -- 13.3 Physics -- 13.3.1 Perovskite-related solids -- 13.3.2 Electrical properties -- 13.3.3 Magnetic properties -- 13.3.4 Grain boundaries -- 13.4 Mineralogy -- 13.4.1 Soil chemistry -- 13.4.2 Zeolites -- 13.4.3 Glasses -- 13.5 Chemistry -- 13.5.1 Nuclear magnetic resonance -- 13.5.2 Transition-metal complexes -- 13.5.3 Heterogeneous catalysis -- 13.5.4 Esterification and hydrolysis -- 13.6 Biology -- 13.6.1 Enzymes -- 13.6.2 Calcium and sodium binding by proteins -- 13.7 Databases -- 14 Chemical implications of the bond valence model -- 14.1 Why is the bond valence model so robust? -- 14.1.1 The attractive force -- 14.1.2 The repulsive force -- 14.2 Two-body potential models -- 14.3 The properties of the bond graph -- 14.4 The Lewis electron-pair model -- 14.5 Why are cations different from anions? -- 14.6 Orbital models -- 14.7 Electron density models -- 14.8 The topology of the Madelung field -- 14.9 Conclusions -- Appendices -- Appendix I Bond valence parameters -- Appendix 2 Space group spectra -- Appendix 3 Solution of the network equations -- Appendix 4 Cation and anion bonding strengths -- Appendix 5 References to the ICSD and the CSD -- References -- List of symbols -- Index.
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| 020 |
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|a 0198508700
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| 100 |
1 |
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|a Brown, I. David
|q (Ian David)
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| 650 |
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|a Chemical bonds
|x Mathematical models.
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| 650 |
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|a Inorganic compounds.
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|a ##2001036457
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|a QD461
|b .B837 2002
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| 490 |
1 |
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|a International Union of Crystallography monographs on crystallography ;
|v 12
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| 040 |
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|a DLC
|c DLC
|d DLC
|d arbccab
|b spa
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| 500 |
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|a Incluye índice.
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| 856 |
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|3 Indice
|u http://www.loc.gov/catdir/tocs/fy02/2001036457.html
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| 856 |
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|3 Descripción del editor
|u http://www.loc.gov/catdir/enhancements/fy0612/2001036457-d.html
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|a 541.2/24
|2 21
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| 942 |
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|c BK
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| 952 |
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|2 udc
|a ARBCCAB
|b ARBCCAB
|d 20090108
|e Blackwell
|i 20646
|o 541.57 B719
|p 20646
|t 1
|y BK
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