David W. H. Rankin, Norbert Mitzel, Carole Morrison

Structural Methods in Molecular Inorganic Chemistry

• Gebundenes Buch

Produktbeschreibung

The only book available to cover all the structural methods an inorganic chemist needs to determine molecular structures, Structural Methods in Molecular Inorganic Chemistry helps readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. A large selection of case studies helps bridge theoretical topics and the real world of practicing chemists. A supporting website contains worked examples and additional advanced material.

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Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems.

Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail:

computational chemistry
nuclear magnetic resonance spectroscopy
electron paramagnetic resonance spectroscopy
Mössbauer spectroscopy
rotational spectra and rotational structure
vibrational spectroscopy
electronic characterization techniques
diffraction methods
mass spectrometry

The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems.

Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material.

Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.

Produktdetails

• Inorganic Chemistry: A Textbook Series .
• Verlag: Wiley & Sons
• 1. Auflage
• Seitenzahl: 504
• Erscheinungstermin: 1. April 2013
• Englisch
• Abmessung: 254mm x 198mm x 27mm
• Gewicht: 1108g
• ISBN-13: 9780470972793
• ISBN-10: 0470972793
• Artikelnr.: 36842872

Autorenporträt

Professor David Rankin, School of Chemistry, University of Edinburgh, Scotland. Prof. Dr. Norbert W. Mitzel, Department for Inorganic Chemistry and Structural Chemistry, Bielefeld University, Germany. Dr Carole Morrison, School of Chemistry, University of Edinburgh, Scotland.

Inhaltsangabe

Preface xiii CompanionWebsite xv Acknowledgements xvii Biographies xix 1.
Determining Structures - How and Why 1 1.1 Structural chemistry - where did
it come from? 1 1.2 Asking questions about structure 4 1.3 Answering
questions about structure 5 1.4 Plan of the book 7 1.5 Supplementary
information 8 2. Tools and Concepts 9 2.1 Introduction 9 2.2 How structural
chemistry techniques work 10 2.3 Symmetry 11 2.4 Electron density 21 2.5
Potential-energy surfaces 21 2.6 Timescales 24 2.7 Structural definitions
26 2.8 Sample preparation 27 2.9 Quantitative measurements 30 2.10
Instrumentation 32 2.11 Data analysis 36 3. Theoretical Methods 45 3.1
Introduction 45 3.2 Approximating the multi-electron Schrodinger equation
46 3.3 Exploring the potential-energy surface 52 3.4 Extending the
computational model to the solid state 56 3.5 Calculating thermodynamic
properties 61 3.6 Calculating properties of chemical bonding 63 3.7
Comparing theory with experiment: geometry 65 3.8 Comparing theory with
experiment: molecular properties 68 3.9 Combining theory and experiment 74
4. Nuclear Magnetic Resonance Spectroscopy 79 4.1 Introduction 79 4.2 The
nuclear magnetic resonance phenomenon 79 4.3 Experimental set-up 83 4.4 The
pulse technique 86 4.5 Information from chemical shifts 92 4.6 Information
from NMR signal intensities. 100 4.7 Simple splitting patterns due to
coupling between nuclear spins 101 4.8 Information from coupling constants
112 4.9 Not-so-simple spectra 116 4.10 The multi-nuclear approach 120 4.11
Multiple resonance 121 4.12 Multi-pulse methods 126 4.13 Two-dimensional
NMR spectroscopy 129 4.14 Gases 140 4.15 Liquid crystals 140 4.16 Solids
141 4.17 Monitoring dynamic phenomena and reactions 147 4.18 Paramagnetic
compounds 154 5. Electron Paramagnetic Resonance Spectroscopy 169 5.1 The
electron paramagnetic resonance experiment 169 5.2 Hyperfine coupling in
isotropic systems 171 5.3 Anisotropic systems 175 5.4 Transition-metal
complexes 179 5.5 Multiple resonance 182 6. Mossbauer Spectroscopy 189 6.1
Introduction 189 6.2 The Mossbauer effect 189 6.3 Experimental arrangements
192 6.4 Information from Mossbauer spectroscopy 194 6.5 Compound
identification 204 6.6 Temperature- and time-dependent effects 208 6.7
Common difficulties encountered in Mossbauer spectroscopy 212 6.8 Further
possibilities in Mossbauer spectroscopy 213 7. Rotational Spectra and
Rotational Structure 219 7.1 Introduction 219 7.2 The rotation of molecules
219 7.3 Rotational selection rules 224 7.4 Instrumentation 228 7.5 Using
the information in a spectrum 229 7.6 Using rotation constants to define
molecular structures 232 8. Vibrational Spectroscopy 237 8.1 Introduction
237 8.2 The physical basis; molecular vibrations 237 8.3 Observing
molecular vibrations 239 8.4 Effects of phase on spectra 245 8.5
Vibrational spectra and symmetry 248 8.6 Assignment of bands to vibrations
254 8.7 Complete empirical assignment of vibrational spectra 262 8.8
Information from vibrational spectra 263 8.9 Normal coordinate analysis 272
9. Electronic Characterization Techniques 277 9.1 Introduction 277 9.2
Electron energy levels in molecules 278 9.3 Symmetry and molecular orbitals
279 9.4 Photoelectron spectroscopy 281 9.5 Valence excitation spectroscopy
286 9.6 Electronic energy levels and transitions in transition-metal
complexes 289 9.7 Circular dichroism 298 10. Diffraction Methods 303 10.1
Introduction 303 10.2 Diffraction of electrons, neutrons and X-rays 304
10.3 Diffraction by gases 308 10.4 Diffraction by liquids 321 10.5
Diffraction by single crystals; symmetry 323 10.6 Diffraction by single
crystals; the theoretical basis 329 10.7 Diffraction by single crystals;
the experiment. 333 10.8 Diffraction by single crystals; interpretation of
results 341 10.9 Diffraction by single crystals; electron density
determination 349 10.10 Topological features of the electron density 352
10.11 Phase dependence of molecular structures 363 10.12 Diffraction of
neutrons by crystals 365 10.13 Diffraction by powders 368 10.14
High-pressure crystallography 368 10.15 Extended X-ray absorption fine
structure 371 11. Mass Spectrometry 383 11.1 Introduction 383 11.2
Experimental arrangements 383 11.3 Data analysis 387 11.4 Combined mass
spectrometry methods 392 12. Case Histories 399 12.1 Introduction 399 12.2
Xenon compounds 400 12.3 The structure of N2O3 407 12.4 Bismuthine 409 12.5
Tetrahydroborates 410 12.6 Is beryllocene a sandwich compound? 415 12.7
Silylium cations - free at last 418 12.8 True phosphinous acids 422 12.9
Dihydrogen and dihydride complexes 425 12.10 Agostic interactions: alkyl
hydrogen atoms binding to metal atoms 428 12.11 Lower symmetry than
expected in some phosphines and phosphoranes 430 12.12 Three-membered rings
with dative bonds? 432 12.13 Stable radicals 436 12.14 Induced proton
transfer in an adduct of squaric acid and bipyridine 441 12.15
High-pressure studies of metal organic framework materials 443 12.16
Mistaken identity: mono-coordinate copper(I) and silver(I) complexes 446
12.17 Oxidation states in a palladium-tin complex 447 12.18 Structural and
spectroscopic consequences of a chemical change in an iron complex 450
12.19 Some metalloproteins 454 12.20 Atoms inside fullerene cages 459 12.21
Structural chemistry - where is it going? 463 Discussion problem 464
References 464 Index 467