{"product_id":"local-structural-characterisation-isbn-9781119953203","title":"Local Structural Characterisation","description":"\u003cp\u003eInorganic materials are at the heart of many contemporary real-world applications, in electronic devices, drug delivery, bio-inspired materials and energy storage and transport. In order to underpin novel synthesis strategies both to facilitate these applications and to encourage new ones, a thorough review of current and emerging techniques for materials characterisation is needed.\u003c\/p\u003e \u003cp\u003eExamining important techniques that allow investigation of the structures of inorganic materials on the local atomic scale, \u003ci\u003eLocal Structural Characterisation\u003c\/i\u003e discusses: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eSolid-State NMR Spectroscopy\u003c\/li\u003e \u003cli\u003eX-Ray Absorption and Emission Spectroscopy\u003c\/li\u003e \u003cli\u003eNeutrons and Neutron Spectroscopy\u003c\/li\u003e \u003cli\u003eEPR Spectroscopy of Inorganic Materials\u003c\/li\u003e \u003cli\u003eAnalysis of Functional Materials by X-Ray Photoelectron Spectroscopy\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eThis addition to the Inorganic Materials Series provides a detailed and thorough review of these spectroscopic techniques and emphasises the interplay between chemical synthesis and physical characterisation.\u003c\/p\u003e  \u003ci\u003eInorganic Materials Series Preface xi\u003c\/i\u003e  \u003cp\u003e\u003ci\u003ePreface xiii\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e\u003ci\u003eList of Contributors xv\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 Solid-state Nuclear Magnetic Resonance Spectroscopy 1\u003cbr\u003e \u003c\/b\u003e\u003ci\u003eSharon Ashbrook, Daniel Dawson and John Griffin\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e1.1 Overview 1\u003c\/p\u003e \u003cp\u003e1.2 Theoretical Background 3\u003c\/p\u003e \u003cp\u003e1.2.1 Fundamentals of NMR 3\u003c\/p\u003e \u003cp\u003e1.2.2 Acquisition of Basic NMR Spectra 4\u003c\/p\u003e \u003cp\u003e1.2.3 Relaxation 7\u003c\/p\u003e \u003cp\u003e1.2.4 Interactions in NMR Spectroscopy 7\u003c\/p\u003e \u003cp\u003e1.3 Basic Experimental Methods 15\u003c\/p\u003e \u003cp\u003e1.3.1 Spin I = 1\/2 Nuclei 15\u003c\/p\u003e \u003cp\u003e1.3.2 Spin I \u0026gt; 1\/2 Nuclei 24\u003c\/p\u003e \u003cp\u003e1.3.3 Wideline NMR Spectroscopy 30\u003c\/p\u003e \u003cp\u003e1.4 Calculation of NMR Parameters 31\u003c\/p\u003e \u003cp\u003e1.4.1 Introduction to Density Functional Theory 31\u003c\/p\u003e \u003cp\u003e1.4.2 Basis Sets and Periodicity 32\u003c\/p\u003e \u003cp\u003e1.4.3 Reducing the Computational Cost of Calculations 33\u003c\/p\u003e \u003cp\u003e1.4.4 Application of First-principles Calculations 34\u003c\/p\u003e \u003cp\u003e1.5 Applications of Solid-state NMR Spectroscopy 36\u003c\/p\u003e \u003cp\u003e1.5.1 Local and Long-range Structure 36\u003c\/p\u003e \u003cp\u003e1.5.2 Measuring Internuclear Interactions 43\u003c\/p\u003e \u003cp\u003e1.5.3 Disordered Materials 46\u003c\/p\u003e \u003cp\u003e1.5.4 Studying Dynamics 50\u003c\/p\u003e \u003cp\u003e1.5.5 Challenging Nuclei and Systems 54\u003c\/p\u003e \u003cp\u003e1.5.6 Paramagnetic Materials and Metals 56\u003c\/p\u003e \u003cp\u003e1.6 Commonly Studied Nuclei 59\u003c\/p\u003e \u003cp\u003e1.6.1 Hydrogen 59\u003c\/p\u003e \u003cp\u003e1.6.2 Lithium 61\u003c\/p\u003e \u003cp\u003e1.6.3 Boron 62\u003c\/p\u003e \u003cp\u003e1.6.4 Carbon 62\u003c\/p\u003e \u003cp\u003e1.6.5 Oxygen 62\u003c\/p\u003e \u003cp\u003e1.6.6 Fluorine 63\u003c\/p\u003e \u003cp\u003e1.6.7 Sodium 63\u003c\/p\u003e \u003cp\u003e1.6.8 Aluminium 64\u003c\/p\u003e \u003cp\u003e1.6.9 Silicon 64\u003c\/p\u003e \u003cp\u003e1.6.10 Phosphorus 64\u003c\/p\u003e \u003cp\u003e1.6.11 Xenon 65\u003c\/p\u003e \u003cp\u003e1.7 NMR of Materials 65\u003c\/p\u003e \u003cp\u003e1.7.1 Simple Ionic Compounds and Ceramics 65\u003c\/p\u003e \u003cp\u003e1.7.2 Microporous Materials 67\u003c\/p\u003e \u003cp\u003e1.7.3 Minerals and Clays 74\u003c\/p\u003e \u003cp\u003e1.7.4 Energy Materials 76\u003c\/p\u003e \u003cp\u003e1.7.5 Glasses 78\u003c\/p\u003e \u003cp\u003e1.7.6 Polymers 81\u003c\/p\u003e \u003cp\u003e1.8 Conclusion 83\u003c\/p\u003e \u003cp\u003eReferences 84\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 X-ray Absorption and Emission Spectroscopy 89\u003cbr\u003e \u003c\/b\u003e\u003ci\u003ePieter Glatzel and Amelie Juhin\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e2.1 Introduction: What is Photon Spectroscopy? 89\u003c\/p\u003e \u003cp\u003e2.2 Electronic Structure and Spectroscopy 93\u003c\/p\u003e \u003cp\u003e2.2.1 Total Energy Diagram 93\u003c\/p\u003e \u003cp\u003e2.2.2 Interaction of X-rays with Matter 96\u003c\/p\u003e \u003cp\u003e2.3 Calculation of Inner-shell Spectra 106\u003c\/p\u003e \u003cp\u003e2.3.1 The Single-particle Extended Picture of Electronic States 107\u003c\/p\u003e \u003cp\u003e2.3.2 The Many-body Atomic Picture of Electronic States 109\u003c\/p\u003e \u003cp\u003e2.3.3 Comparison of Theoretical Approaches 112\u003c\/p\u003e \u003cp\u003e2.3.4 The Many-body Extended Picture of Electronic States 113\u003c\/p\u003e \u003cp\u003e2.3.5 Single-particle Calculation of the Absorption Cross-section 114\u003c\/p\u003e \u003cp\u003e2.3.6 Many-body Atomic Calculation of the Cross-section 118\u003c\/p\u003e \u003cp\u003e2.3.7 Which Approach Works Best for Inner-shell Spectroscopy? 118\u003c\/p\u003e \u003cp\u003e2.3.8 Beyond Standard DFT Methods 119\u003c\/p\u003e \u003cp\u003e2.4 Experimental Techniques 120\u003c\/p\u003e \u003cp\u003e2.4.1 X-ray Absorption Spectroscopy 121\u003c\/p\u003e \u003cp\u003e2.4.2 X-ray Raman Spectroscopy 130\u003c\/p\u003e \u003cp\u003e2.4.3 Nonresonant X-ray Emission (X-ray Fluorescence) 131\u003c\/p\u003e \u003cp\u003e2.4.4 Resonant Inelastic X-ray Scattering 137\u003c\/p\u003e \u003cp\u003e2.5 Experimental Considerations 155\u003c\/p\u003e \u003cp\u003e2.5.1 Modern Sources of X-rays 155\u003c\/p\u003e \u003cp\u003e2.5.2 Ultrafast X-ray Spectroscopy 157\u003c\/p\u003e \u003cp\u003e2.5.3 Measuring XAS\/XES 158\u003c\/p\u003e \u003cp\u003e2.6 Conclusion 163\u003c\/p\u003e \u003cp\u003eAcknowledgement 164\u003c\/p\u003e \u003cp\u003eReferences 164\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Neutrons and Neutron Spectroscopy 173\u003cbr\u003e \u003c\/b\u003e\u003ci\u003eA. J. Ramirez-Cuesta and Philip C. H. Mitchell\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e3.1 The Neutron and How it is Scattered 174\u003c\/p\u003e \u003cp\u003e3.1.1 The Scattering Law 175\u003c\/p\u003e \u003cp\u003e3.2 Why Neurons? 179\u003c\/p\u003e \u003cp\u003e3.2.1 The S(Q,w) Map 180\u003c\/p\u003e \u003cp\u003e3.2.2 Modelling of INS Spectra 181\u003c\/p\u003e \u003cp\u003e3.2.3 Example of the Effects of Sampling of the Brillouin Zone 183\u003c\/p\u003e \u003cp\u003e3.2.4 INS Spectrometers 184\u003c\/p\u003e \u003cp\u003e3.2.5 Measurement Temperature 189\u003c\/p\u003e \u003cp\u003e3.2.6 Amount of Sample Required 189\u003c\/p\u003e \u003cp\u003e3.3 Molecular Hydrogen (Dihydrogen) in Porous Materials 190\u003c\/p\u003e \u003cp\u003e3.3.1 The Rotational Spectrum of Dihydrogen 190\u003c\/p\u003e \u003cp\u003e3.3.2 The Polarising Power of Cations and H2 Binding 191\u003c\/p\u003e \u003cp\u003e3.3.3 Hydrogen in Metal Organic Frameworks 195\u003c\/p\u003e \u003cp\u003e3.3.4 Hydrogen Trapped in Clathrates 198\u003c\/p\u003e \u003cp\u003e3.4 Ins and Catalysis 201\u003c\/p\u003e \u003cp\u003e3.4.1 Hydroxyl Groups on Surfaces 206\u003c\/p\u003e \u003cp\u003e3.5 CO2 and SO2 Capture 207\u003c\/p\u003e \u003cp\u003e3.6 What Could be Next? 211\u003c\/p\u003e \u003cp\u003e3.6.1 How Could we Improve INS? 211\u003c\/p\u003e \u003cp\u003e3.6.2 A Hypothetical INS Instrument for Catalysis 216\u003c\/p\u003e \u003cp\u003e3.7 Conclusion 219\u003c\/p\u003e \u003cp\u003eReferences 220\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Electron Paramagnetic Resonance Spectroscopy of Inorganic Materials 225\u003cbr\u003e \u003c\/b\u003e\u003ci\u003ePiotr Pietrzyk, Tomasz Mazur and Zbigniew Sojka\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e4.1 Introduction 225\u003c\/p\u003e \u003cp\u003e4.2 Electron Spin in a Magnetic Field 226\u003c\/p\u003e \u003cp\u003e4.2.1 Electron Zeeman Effect and the Resonance Phenomenon 228\u003c\/p\u003e \u003cp\u003e4.2.2 Spin Relaxation 230\u003c\/p\u003e \u003cp\u003e4.2.3 Electron–Nucleus Hyperfine Interaction 233\u003c\/p\u003e \u003cp\u003e4.2.4 EPR Spectrometers 238\u003c\/p\u003e \u003cp\u003e4.2.5 Samples, Sample Holders and Registration of EPR Spectra 242\u003c\/p\u003e \u003cp\u003e4.3 Spin Hamiltonian and Symmetry 244\u003c\/p\u003e \u003cp\u003e4.3.1 The g Tensor 244\u003c\/p\u003e \u003cp\u003e4.3.2 The Hyperfine A Tensor 250\u003c\/p\u003e \u003cp\u003e4.3.3 The Fine Structure D Tensor 256\u003c\/p\u003e \u003cp\u003e4.3.4 The Quadrupole Q Tensor 260\u003c\/p\u003e \u003cp\u003e4.3.5 Electron–Electron Exchange Interactions J 261\u003c\/p\u003e \u003cp\u003e4.3.6 The Spin Hamiltonian 264\u003c\/p\u003e \u003cp\u003e4.4 Principal Types of EPR Spectrum and Their Characteristic Features 267\u003c\/p\u003e \u003cp\u003e4.4.1 Single-crystal Spectra 267\u003c\/p\u003e \u003cp\u003e4.4.2 Static and Dynamic Disorder 269\u003c\/p\u003e \u003cp\u003e4.4.3 EPR Spectra of Powder and Nanopowder Materials 274\u003c\/p\u003e \u003cp\u003e4.4.4 Unusual Spectral Features 278\u003c\/p\u003e \u003cp\u003e4.4.5 Computer Simulation of Powder Spectra 280\u003c\/p\u003e \u003cp\u003e4.5 Advanced EMR Techniques 282\u003c\/p\u003e \u003cp\u003e4.5.1 High-field and Multifrequency EPR 282\u003c\/p\u003e \u003cp\u003e4.5.2 Pulsed EPR Methods 285\u003c\/p\u003e \u003cp\u003eReferences 296\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Analysis of Functional Materials by X-ray Photoelectron Spectroscopy 301\u003cbr\u003e \u003c\/b\u003e\u003ci\u003eKaren Wilson and Adam F. Lee\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e5.1 Introduction 301\u003c\/p\u003e \u003cp\u003e5.1.1 The Basic Principles of XPS 302\u003c\/p\u003e \u003cp\u003e5.1.2 Quantification of X-ray Photoelectron Spectra 305\u003c\/p\u003e \u003cp\u003e5.1.3 The Origin of Surface Sensitivity 308\u003c\/p\u003e \u003cp\u003e5.1.4 Angular Resolved XPS 309\u003c\/p\u003e \u003cp\u003e5.1.5 Chemical Shift Information from XPS 311\u003c\/p\u003e \u003cp\u003e5.2 Imaging XPS 315\u003c\/p\u003e \u003cp\u003e5.3 Time-resolved High-resolution XPS 318\u003c\/p\u003e \u003cp\u003e5.3.1 Selective Catalytic Alcohol Oxidation 319\u003c\/p\u003e \u003cp\u003e5.3.2 Selective Oxidation of Allylic Alcohols 322\u003c\/p\u003e \u003cp\u003e5.3.3 C–X Activation 324\u003c\/p\u003e \u003cp\u003e5.4 High- or Ambient-pressure XPS 326\u003c\/p\u003e \u003cp\u003e5.4.1 AP-XPS Studies of the Surface Chemistry of Oxidised Metal Surfaces 329\u003c\/p\u003e \u003cp\u003e5.4.2 Selective Hydrogenation 333\u003c\/p\u003e \u003cp\u003e5.4.3 HP-XPS Studies of Core–Shell Nanoparticulate Materials 335\u003c\/p\u003e \u003cp\u003e5.5 Applications to Inorganic Materials 335\u003c\/p\u003e \u003cp\u003e5.5.1 Bimetallic Nanoparticles 335\u003c\/p\u003e \u003cp\u003e5.5.2 XPS Studies of Heteropolytungstate Clusters 338\u003c\/p\u003e \u003cp\u003e5.5.3 XPS Studies of Acid–Base Sites in Oxide Catalysts 342\u003c\/p\u003e \u003cp\u003e5.6 Conclusion 345\u003c\/p\u003e \u003cp\u003e\u003ci\u003eReferences 345\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e\u003ci\u003eIndex 351\u003c\/i\u003e\u003c\/p\u003e  \u003cb\u003eSeries Editors\u003c\/b\u003e\u003cbr\u003e \u003cb\u003eDuncan W. Bruce\u003c\/b\u003e, \u003ci\u003eDepartment of Chemistry, University of York, UK\u003c\/i\u003e\u003cbr\u003e \u003cb\u003eDermot O’Hare\u003c\/b\u003e, \u003ci\u003eChemistry Research Laboratory, University of Oxford, UK\u003c\/i\u003e\u003cbr\u003e \u003cb\u003eRichard I. Walton\u003c\/b\u003e, \u003ci\u003eDepartment of Chemistry, University of Warwick, UK\u003c\/i\u003e  \u003cp\u003eInorganic materials are at the heart of many contemporary real-world applications, in electronic devices, drug delivery, bio-inspired materials and energy storage and transport. In order to underpin novel synthesis strategies both to facilitate these applications and to encourage new ones, a thorough review of current and emerging techniques for materials characterisation is needed.\u003c\/p\u003e \u003cp\u003eExamining important techniques that allow investigation of the structures of inorganic materials on the local atomic scale, \u003ci\u003eLocal Structural Characterisation\u003c\/i\u003e discusses: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eSolid-State NMR Spectroscopy\u003c\/li\u003e \u003cli\u003eX-Ray Absorption and Emission Spectroscopy\u003c\/li\u003e \u003cli\u003eNeutrons and Neutron Spectroscopy\u003c\/li\u003e \u003cli\u003eEPR Spectroscopy of Inorganic Materials\u003c\/li\u003e \u003cli\u003eAnalysis of Functional Materials by X-Ray Photoelectron Spectroscopy\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eThis addition to the Inorganic Materials Series provides a detailed and thorough review of these spectroscopic techniques and emphasises the interplay between chemical synthesis and physical characterisation.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47989539733733,"sku":"NP9781119953203","price":123.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9781119953203.jpg?v=1761784518","url":"https:\/\/k12savings.com\/products\/local-structural-characterisation-isbn-9781119953203","provider":"K12savings","version":"1.0","type":"link"}