Bonding, structure and solid-state chemistry:
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| Format: | Book |
| Language: | English |
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Oxford
Oxford University Press
2016
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Hier auch später erschienene, unveränderte Nachdrucke |
| Physical Description: | xxiv, 527 Seiten Illustrationen, Diagramme (teilweise farbig) |
| ISBN: | 9780198729952 9780198729945 |
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| 245 | 1 | 0 | |a Bonding, structure and solid-state chemistry |c Mark Ladd, formerly head of Chemical Physics, University of Surrey, UK |
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Record in the Search Index
| _version_ | 1804176130417098752 |
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| adam_text | Titel: Bonding, structure and solid-state chemistry
Autor: Ladd, M. F. C
Jahr: 2016
Contents
Physical Data, Notation and Online Materials xxi
1 Preamble 1
1.1 Introduction 1
1.2 Atomic nature of matter 2
1.3 States of matter 3
1.4 Crystalline and amorphous solids 6
1.5 Isomorphism and polymorphism 10
1.6 Solid-state transitions 12
1.6.1 Sharp transitions 13
1.6.2 Gradual transitions 14
1.6.3 Entropy of transition and the Boltzmann equation 16
1.6.4 Thermodynamic properties at transition points 18
1.7 Liquid crystals 19
1.8 Classification of solids 22
1.8.1 Covalent solids 22
1.8.2 Molecular solids 22
1.8.2.1 Hydrogen-bonded solids 22
1.8.3 Ionic solids 23
1.8.4 Metallic solids 24
1.8.5 Comments on the Classification of solids 24
References 1 26
Problems 1 26
2 Covalent Compounds 29
2.1 Introduction 29
2.2 Black-body radiation 30
2.3 Planck s quantum theory 32
2.4 Heat capacity 33
2.5 Wave-particle duality 34
2.5.1 Photoelectric effect 34
2.5.2 De Broglie equation 36
2.5.3 Electron microscopy 37
2.6 Atomic spectra 37
2.7 Heisenberg s uncertainty principle 38
2.8 Wave mechanics of particles 40
xii Contents
2.9 Born s interpretation of the wavefunction 41
2.9.1 Normalization 42
2.9.2 Orthogonality and orthonormality 42
2.10 Particle-in-a-box: quantization of translational energy 43
2.10.1 Tunnelling 47
2.10.1.1 Scanning probe microscopy 48
2.10.1.2 Ttinnelling in electron transfer reactions 49
2.10.2 Boxes of higher dimensions 50
2.10.3 Vibrational motion 51
2.10.4 Rotational motion 53
2.11 The hydrogen atom 55
2.11.1 The angular equations 57
2.11.2 The radial equation 58
2.11.3 The complete wave equation 62
2.12 Quantum numbers 64
2.12.1 Angular momentum and spin 65
2.12.2 Pauli s exclusion principle 66
2.13 Atomic orbitals 66
2.13.1 Ionization energy 66
2.13.2 Atom Shells 68
2.13.2.1 Selection rules for atoms 69
2.13.3 Radial functions and size 69
2.13.4 Angular functions and shape 70
2.13.4.1 s Orbitals 70
2.13.4.2 p and d Orbitals 70
2.13.5 Screening constant and effective nuclear charge 74
2.14 Aufbau principle 74
2.15 Multi-electron species 77
2.16 Valence-bond theory 78
2.16.1 Homonuclear diatomic molecules 78
2.16.2 Heteronuclear diatomic molecules 80
2.16.3 Other molecular species 82
2.17 Molecular orbital method: homonuclear species 82
2.17.1 Variation principle 83
2.17.1.1 Hydrogen molecule-ion and hydrogen molecule 85
2.17.1.2 Orbital symmetry 86
2.17.1.3 Heteronuclear species 87
2.17.1.4 Nitrogen and oxygen molecules 88
2.17.2 Symmetry-adapted molecular orbitals 90
2.17.2.1 Representations 90
2.17.2.2 Symmetry elements, symmetry Operations and point groups 91
2.17.2.3 Character tables 92
2.17.2.4 Projection Operators 93
2.17.2.5 Reduction of a representation 95
2.17.3 Molecular orbitals for methane 96
Contents xiii
2.18 Hückel molecular orbital theory 101
2.18.1 Ethene 101
2.18.2 Allylradical 102
2.18.3 Benzene 104
2.18.4 rr-Bond order 109
2.18.5 Free valence index 109
2.18.6 Charge distribution 110
2.19 Extended Hückel molecular orbital theory 111
2.20 Valence shell electron pair repulsion theory 113
2.21 Crystal-field and ligand-field theories 115
2.21.1 The hexacyanoferrate(II) ion 117
2.22 Paramagnetism 122
2.23 Apparently abnormal valence and three-centre bonding 124
2.23.1 Sulphur hexafluoride 124
2.23.2 Allyl anion 125
2.23.3 Xs-Borane 127
2.23.4 Shifüng bonds 128
2.23.5 er-Hole bonds 129
2.23.6 Diamondoid Compounds 129
2.24 Theoretical techniques 130
2.25 Structural and physical characteristics of covalent solids 132
References 2 134
Problems 2 135
Solution for Plotting exercise 2.1 143
Solution for Plotting exercise 2.2 144
3 Molecular Compounds 146
3.1 Introduction 146
3.2 Electric moments and partial atomic charges 147
3.3 Polarization and polar molecules 149
3.3.1 The Langevin function 151
3.3.2 Electron polarization 156
3.3.2.1 Digression on electrical units 156
3.3.2.2 Polarization in gaseous species 156
3.3.3 Refractive index 158
3.3.4 Van der Waals equation of State 158
3.4 Polarization in Condensed states 160
3.4.1 Ion-dipole interaction 160
3.4.2 Dipole-dipole interactions 161
3.4.2.1 Dipole-dipole interaction in a solid 161
3.4.2.2 Dipole-dipole interaction in a fluid 162
3.4.3 Induced dipole-induced dipole interaction 165
3.4.3.1 Vibrational bonding 169
xiv Contents
3.4.4 Surface tension 169
3.4.4.1 Capillarity 170
3.5 Effect of frequency on polarization 171
3.6 Molar polarization 173
3.7 Static permittivity 175
3.7.1 Isotropie solids 177
3.8 Intermolecular potentials 179
3.9 Structure of liquids 182
3.9.1 Liquid-gas equilibrium 183
3.9.2 Radial distribution funetion 183
3.9.3 Diffraction studies on liquids 185
3.9.4 Internal energy of fluid 186
3.9.5 Simulation techniques 187
3.9.5.1 Monte Carlo 187
3.9.5.2 Molecular dynamics 188
3.10 Structural and physical characteristics of molecular solids 190
3.11 Hydrogen-bonded solids 191
3.11.1 Atomic force microscopy and hydrogen bonds 193
3.12 Classification of molecular solids 197
3.12.1 Inert gases 197
3.12.2 Groups 15, 16 and 17 elements 198
3.12.3 Small inorganic molecules 198
3.12.4 Clathrate Compounds 200
3.12.5 Charge-transfer struetures 201
3.12.6 7t-Electron overlap Compounds 202
3.12.7 Organic Compounds 203
3.12.7.1 Classification System for organic Compounds 206
References 3 210
Problems 3 211
4 Ionic Compounds 215
4.1 Introduction 215
4.2 Ionic bond 215
4.2.1 Crystal (cohesive) energy 217
4.3 Thermodynamic approach to crystal energy 217
4.3.1 Born-Fajans-Haber cycle 219
4.3.2 Sublimation enthalpy 220
4.3.3 Ionization energy 223
4.3.4 Dissociation enthalpy 223
4.3.5 Electron affinity 224
4.3.6 Enthalpy of formation 224
4.3.7 Precision of crystal energies 225
4.4 Electrostatic model for ionic crystals 225
4.4.1 Madelung constant
4.4.1.1 Series convergence 228
Contents xv
4.4.2 Crystal energy calculation 228
4.4.3 Polarization in ionic Compounds 231
4.4.4 Crystal energy with polarization 231
4.5 Applications of crystal energies 232
4.5.1 Deducing electron affinities and related quantities 232
4.5.2 Compound stability 233
4.5.2.1 Energetics of inert gas Compounds 233
4.5.2.2 Energetics of copper(I) fluoride and silver Cyanide 234
4.5.2.3 Unfamiliar Chlorides of sodium 235
4.5.3 Charges on polyatomic ions 235
4.6 Crystal chemistry 238
4.6.1 Ionicradii 240
4.6.2 Radius ratio and MX structure types 241
4.6.3 Radius ratio and MX2 structure types 245
4.6.4 Structures of Silicates 248
4.7 Structural and physical characteristics of ionic solids 251
4.8 Solubility of ionic Compounds 252
4.8.1 Reference State for solubility 252
4.8.2 Solubility relationships 253
4.8.3 Solubility and energy 255
4.9 Spectra of ionic Compounds 259
4.10 Heat capacity of ionic solids 260
4.11 Defects in ionic structures 261
4.11.1 Point defects 261
4.11.2 Defects of higher dimensions 264
4.11.3 Colour centres 265
4.11.3.1 F centres 265
4.11.3.2 H and V centres 266
4.11.4 Electrical properties in defect ionic structures 267
4.11.4.1 Fast-ion conductors 268
4.11.4.2 Doping 268
4.11.5 Image plates 269
References 4 270
Problems 4 272
5 Metallic Compounds 277
5.1 Introduction 277
5.2 Drude free-electron theory 277
5.3 Electrical conductivity 278
5.3.1 Drude-Lorentz model of metals 279
5.3.2 Ohm s law 279
5.3.3 Mean free path 280
5.3.4 Hall effect 280
5.4 Thermal properties of metals 282
5.4.1 Classical solids 285
xvi Contents
5.4.2 Einstein and Debye solids
5.4.3 Summary of classical free-electron theory
5.5 Wave-mechanical free-electron theory
5.5.1 Density of states
5.5.2 Fermi-Dirac distribution
5.5.2.1 Fermi energy and chemical potential
5.6 Band theory of metals
5.6.1 Wigner-Seitz cells and Brillouin zones
5.6.2 Energy bands and the Fermi level
5.6.3 Schrödinger equation in a periodic potential
5.6.4 Energy bands and electrical conduction
5.6.4.1 Hall effect revisited
5.7 Energy bands and molecular orbital theory
5.8 Semiconductors
5.8.1 Intrinsic semiconductors
5.8.2 Extrinsic semiconductors
5.8.3 p-n Junction semiconductors
5.8.4 Superconductors
5.9 Fuel cells, batteries and solar cells
5.9.1 Fuel cells
5.9.2 Batteries
5.9.3 Solar cells
5.9.3.1 Direct and indirect band gap semiconductors
5.10 Structures of metals
5.11 Structural and physical characteristics of metallic solids
5.12 Alloy systems
5.12.1 Copper-gold alloys
5.12.1.1 Order-disorder structures
5.12.2 Silver-cadmium alloys
5.13 Hume-Rother y rules for alloys
5.13.1 Intermetallic Compounds
References 5
Problems 5
Nanoscience and Nanotechnology
6.1 Introduction
6.2 Physics of small systems
6.2.1 Quantum dots
6.2.1.1 Dimensionality and density of states function
6.2.1.2 Applications of quantum dots
6.2.2 Mechanical properties of nanocrystals
6.3 Carbon and its nanomaterials
6.3.1 Carbon black
6.3.2 Graphite
Contents xvii
6.3.3 Fullerenes and buckyballs 353
6.3.4 Graphene 354
6.3.4.1 Chemical sensing 356
6.3.4.2 Graphene oxide 356
6.3.5 Carbon nanotubes and nanowires 356
6.3.6 After graphene 358
6.3.7 Graphite intercalation Compounds 359
6.4 Magnetism in nanosize materials 361
6.4.1 Diamagnetic Compounds 361
6.4.2 Paramagnetic Compounds 362
6.4.3 Ferromagnetic, antiferromagnetic and ferrimagnetic compovmds 362
6.5 Nanopolymers 365
6.6 Fabrication of nanosize materials 366
References 6 369
Problems 6 370
7 Computer-Aided Chemistry 373
7.1 Introduction 373
7.2 Plotting with Python 373
7.2.1 Plotting program (GRFN) 376
7.2.2 Contouring program (ANFN) 377
7.2.3 Angular functions field figures (PLOT) 377
7.3 Hückel molecular orbitals (HUCK) 379
7.3.1 Hückel extension: h and k parameters 380
7.4 Linear least Squares (LSLI) 380
7.4.1 Transmission of errors 381
7.5 Madelimg constants (MADC) 381
7.6 Matrix Operations (MATS) 382
7.7 Radial wavefunctions (RADL) 382
7.8 Angular wavefunctions ( Orbitron ) 382
7.9 Gaussian quadrature (QUAD) 382
7.10 Roots of polynomials (ROOT) 383
7.11 Inverse r6 and r12 curves (LJON) 383
7.12 Electron-in-a-box (BOXS) 383
7.13 Waveforms (WAVE) 384
References 7 384
Problems 7 384
Appendices
AI Stereoviewing and Stereoviewers 387
References AI 387
xviii Contents
A2 Miller Indices 389
Exercise AI 391
References A2 391
A3 Bragg Reflection of X-rays from Crystals 392
Exercise A2 394
Reference A3 394
A4 Boltzmann Distribution from the Hypsometrie Formula 395
Reference A4 396
A5 Mean Classical Thermal Energy and the Equipartition Theorem 397
A5.1 Mean kinetic energy 397
A5.2 Equipartition theorem 398
A6 Spherical Polar Coordinates 399
A6.1 Coordinates 399
A6.2 Volume element 400
Exercise A3 400
A7 Gamma Function T(m) 401
References A7 402
A8 Reduced Mass 403
A9 Solution of a Differential Equation 405
A10 Determinant Expansion, Matrices and Matrix Properties and Hückel Molecular-Orbital Coefficients 407
AI0.1 Expansion of a determinant 407
AI0.2 Matrices 408
AI 0.2.1 General matrix 408
AI0.2.2 Row matrix 408
A10.2.3 Column matrix 408
A10.2.4 Symmetrie, skew-symmetric, equal and identity matrices 408
A10.2.5 Addition and subtraction of matrices 409
AI 0.2.6 Transposition 409
AI0.2.7 Multiplication with matrices 409
AI 0.2.8 Multiplicative properties of matrices 410
AI0.2.9 Inverse of a matrix 410
A10.2.10 Orthogonal and unitary matrices 411
A10.2.11 Matrices, rows and columns 412
AI0.3 Hückel molecular orbital wavefunetion coefficients 412
All Electrostatics and Volume of Molecules in a Gas 414
AI 1.1 Lawofforce 414
Contents xix
AI 1.2 Coulomb s law 414
ExerciseA4 415
AI 1.3 Permittivity 415
A11.3.1 Measurement of relative permittivity 415
AI 1.4 Potential and field of a Charge 416
ExerciseA5 418
A11.5 Potential of an ideal dipole 418
AI 1.6 Capacitance 420
AI 1.7 Clausius-Mosotti and Lorentz-Lorenz equations 421
AI 1.8 Volume of molecules in a gas 425
A12 Configurational Energy 426
Reference A12 427
AI 3 Numerical Integration 428
AI 3.1 Introduction 428
AI3.2 Numerical methods 429
A13.2.1 Simpson s rule 429
A13.2.2 Gaussian quadrature 429
References A13 430
AI 4 X-ray Crystallographic Structure Analyses of Potassium Chloride and Sodium Chloride 431
References A14 434
AI 5 Calculation of Madelung Constants 435
References AI 5 436
A16 Equation of State for a Solid 437
References AI6 438
AI 7 Partial Molar Quantities and Standard States 439
AI 7.1 Introduction 439
A17.2 Partial molar volume 439
A17.3 Partial molar entropy 440
A17.3.1 Measurement of the partial molar entropy of a hydrated ion 440
A17.4 Generalized description of partial molar quantities 441
A17.5 Partial molar enthalpy 442
AI 7.6 Standard states and reference states 443
References AI7 446
AI 8 Debye Limiting Law 447
References AI8 449
xx Contents
A19 Quantum Statistics 450
AI 9.1 Introduction 450
AI 9.2 Fermi-Dirac distribution 450
A19.3 Lagrange undetermined multipliers 453
References AI 9 456
A20 Reciprocal Space and Reciprocal Lattice 457
A20.1 Reciprocal space 457
A20.2 Reciprocal lattice and Ewald s construction 460
Exercise A6 462
References A20 462
A21 WavePackets 463
A21.1 Particle and wave 463
A21.2 Localized particle: superposition of waves 463
A21.3 Phase and group velocities 465
A21.4 Localized particle 466
Exercise A7 469
Answers to Exercises 470
Tutorial Solutions
Introductory note 471
Solutions 1 471
Solutions 2 473
Solutions 3 489
Solutions 4 493
Solutions 5 500
Solutions 6 505
Solutions 7 509
References 513
Index 515
Web Program Suite (accessed front http://www.oup.co.uk/companion/ladd)
|
| any_adam_object | 1 |
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| dewey-ones | 541 - Physical chemistry |
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| discipline | Chemie / Pharmazie |
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| id | DE-604.BV043497313 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T07:27:17Z |
| institution | BVB |
| isbn | 9780198729952 9780198729945 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028913785 |
| oclc_num | 946820136 |
| open_access_boolean | |
| owner | DE-11 DE-703 DE-19 DE-BY-UBM |
| owner_facet | DE-11 DE-703 DE-19 DE-BY-UBM |
| physical | xxiv, 527 Seiten Illustrationen, Diagramme (teilweise farbig) |
| publishDate | 2016 |
| publishDateSearch | 2016 |
| publishDateSort | 2016 |
| publisher | Oxford University Press |
| record_format | marc |
| spelling | Ladd, M. F. C. 1926- Verfasser (DE-588)132263378 aut Bonding, structure and solid-state chemistry Mark Ladd, formerly head of Chemical Physics, University of Surrey, UK Oxford Oxford University Press 2016 xxiv, 527 Seiten Illustrationen, Diagramme (teilweise farbig) txt rdacontent n rdamedia nc rdacarrier Hier auch später erschienene, unveränderte Nachdrucke Solid state chemistry Chemische Bindung (DE-588)4009843-6 gnd rswk-swf Festkörperchemie (DE-588)4129288-1 gnd rswk-swf Festkörper (DE-588)4016918-2 gnd rswk-swf (DE-588)4123623-3 Lehrbuch gnd-content Festkörper (DE-588)4016918-2 s Chemische Bindung (DE-588)4009843-6 s DE-604 Festkörperchemie (DE-588)4129288-1 s HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028913785&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Ladd, M. F. C. 1926- Bonding, structure and solid-state chemistry Solid state chemistry Chemische Bindung (DE-588)4009843-6 gnd Festkörperchemie (DE-588)4129288-1 gnd Festkörper (DE-588)4016918-2 gnd |
| subject_GND | (DE-588)4009843-6 (DE-588)4129288-1 (DE-588)4016918-2 (DE-588)4123623-3 |
| title | Bonding, structure and solid-state chemistry |
| title_auth | Bonding, structure and solid-state chemistry |
| title_exact_search | Bonding, structure and solid-state chemistry |
| title_full | Bonding, structure and solid-state chemistry Mark Ladd, formerly head of Chemical Physics, University of Surrey, UK |
| title_fullStr | Bonding, structure and solid-state chemistry Mark Ladd, formerly head of Chemical Physics, University of Surrey, UK |
| title_full_unstemmed | Bonding, structure and solid-state chemistry Mark Ladd, formerly head of Chemical Physics, University of Surrey, UK |
| title_short | Bonding, structure and solid-state chemistry |
| title_sort | bonding structure and solid state chemistry |
| topic | Solid state chemistry Chemische Bindung (DE-588)4009843-6 gnd Festkörperchemie (DE-588)4129288-1 gnd Festkörper (DE-588)4016918-2 gnd |
| topic_facet | Solid state chemistry Chemische Bindung Festkörperchemie Festkörper Lehrbuch |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028913785&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT laddmfc bondingstructureandsolidstatechemistry |