Note: Intro -- Mössbauer Spectroscopy and Transition Metal Chemistry -- Fundamentals and Applications -- Preface -- Contents -- Chapter 1: Introduction -- References -- Chapter 2: Basic Physical Concepts -- 2.1 Nuclear gamma-Resonance -- 2.2 Natural Line Width and Spectral Line Shape -- 2.3 Recoil Energy Loss in Free Atoms and Thermal Broadening of Transition Lines -- 2.4 Recoil-Free Emission and Absorption -- 2.5 The Mössbauer Experiment -- 2.6 The Mössbauer Transmission Spectrum -- 2.6.1 The Line Shape for Thin Absorbers -- 2.6.2 Saturation for Thick Absorbers -- References -- Chapter 3: Experimental -- 3.1 The Mössbauer Spectrometer -- 3.1.1 The Mössbauer Drive System -- 3.1.1.1 Setup and Function -- 3.1.1.2 Tuning the Drive Performance -- 3.1.2 Recording the Mössbauer Spectrum -- 3.1.2.1 ``Folding´´ of Raw Spectra -- 3.1.3 Velocity Calibration -- 3.1.3.1 Velocity Range and Calibration Factor -- 3.1.3.2 Velocity Zero and Isomer Shift References -- 3.1.3.3 Laser Calibration -- 3.1.4 The Mössbauer Light Source -- 3.1.5 Pulse Height Analysis: Discrimination of Photons -- 3.1.5.1 Tuning the SCA -- 3.1.6 Mössbauer Detectors -- 3.1.6.1 Proportional Counters -- 3.1.6.2 Other gamma-Detectors -- 3.1.6.3 Detectors for Conversion Electrons and Scattered Radiation -- 3.1.6.4 Limits of Counter Resolution -- 3.1.7 Accessory Cryostats and Magnets -- 3.1.8 Geometry Effects and Source-Absorber Distance -- 3.2 Preparation of Mössbauer Sources and Absorbers -- 3.2.1 Sample Preparation -- 3.2.1.1 Basic Considerations -- 3.2.1.2 Counting Statistics and Acquisition Time -- 3.2.1.3 Minimal Thickness of a Mössbauer Sample -- 3.2.2 Absorber Optimization: Mass Absorption and Thickness -- 3.2.2.1 Mass Absorption Coefficients -- 3.2.2.2 Solvents, Solutions, and Powders -- 3.2.2.3 Isotope Enrichment -- 3.2.3 Absorber Temperature -- 3.3 The Miniaturized Spectrometer MIMOS II. , 3.3.1 Introduction -- 3.3.2 Design Overview -- 3.3.2.1 Mössbauer Sources, Shielding, and Collimator -- 3.3.2.2 Drive System -- 3.3.2.3 Detector System and Electronics -- 3.3.3 Backscatter Measurement Geometry -- 3.3.3.1 Cosine Smearing -- 3.3.4 Temperature Dependence and Sampling Depth -- 3.3.4.1 Temperature Dependence -- 3.3.4.2 Sampling Depth -- 3.3.5 Data Structure, Temperature Log, and Backup Strategy -- 3.3.6 Velocity and Energy Calibration -- 3.3.6.1 Velocity Calibration -- 3.3.6.2 Detector Calibration -- 3.3.7 The Advanced Instrument MIMOS IIa -- References -- Chapter 4: Hyperfine Interactions -- 4.1 Introduction to Electric Hyperfine Interactions -- 4.1.1 Nuclear Moments -- 4.1.2 Electric Monopole Interaction -- 4.1.3 Electric Quadrupole Interaction -- 4.1.4 Quantum Mechanical Formalism for the Quadrupole Interaction -- 4.2 Mössbauer Isomer Shift -- 4.2.1 Relativistic Effects -- 4.2.2 Isomer Shift Reference Scale -- 4.2.3 Second-Order Doppler Shift -- 4.2.4 Chemical Information from Isomer Shifts -- 4.2.4.1 Isomer Shift Correlations -- 4.2.4.2 Oxidation State and Spin -- 4.2.4.3 Applications of Isomer Shift Correlations -- 4.2.4.4 Covalent Bonding Properties -- 4.2.4.5 Basic Interpretation -- 4.3 Electric Quadrupole Interaction -- 4.3.1 Nuclear Quadrupole Moment -- 4.3.2 Electric Field Gradient -- 4.3.3 Quadrupole Splitting -- 4.3.4 Interpretation and Computation of Electric Field Gradients -- 4.3.4.1 EFG from Point Charges -- 4.3.4.2 The ``Lattice Contribution´´ to the EFG -- 4.3.4.3 Local Contribution from Valence Electrons -- 4.4 Magnetic Dipole Interaction and Magnetic Splitting -- 4.5 Combined Electric and Magnetic Hyperfine Interactions -- 4.5.1 Perturbation Treatment -- 4.5.2 High-Field Condition: gNNBeQVzz/2 -- 4.5.2.1 Quadrupole Shifts in High-Field Magnetic Spectra. , 4.5.2.2 Angular Dependence of the Effect of Quadrupole Interaction in High-Field Spectra -- 4.5.3 Low-Field Condition: eQVzz/2gNNB -- 4.5.4 Effective Nuclear g-Factors for eQVzz/2gNNB -- 4.5.5 Remarks on Low-Field and High-Field Mössbauer Spectra -- 4.6 Relative Intensities of Resonance Lines -- 4.6.1 Transition Probabilities -- 4.6.2 Effect of Crystal Anisotropy on the Relative Intensities of Hyperfine Splitting Components -- 4.7 57Fe-Mössbauer Spectroscopy of Paramagnetic Systems -- 4.7.1 The Spin-Hamiltonian Concept -- 4.7.1.1 Ground State Properties and Zero-Field Splitting -- 4.7.2 The Formalism for Electronic Spins -- 4.7.3 Nuclear Hamiltonian and Hyperfine Coupling -- 4.7.3.1 Separation of I- and S-Dependent Contributions -- 4.7.4 Computation of Mössbauer Spectra in Slow and Fast Relaxation Limit -- 4.7.5 Spin Coupling -- 4.7.6 Interpretation, Remarks and Relation with Other Techniques -- References -- Chapter 5: Quantum Chemistry and Mössbauer Spectroscopy -- 5.1 Introduction -- 5.2 Electronic Structure Theory -- 5.2.1 The Molecular Schrdinger Equation -- 5.2.2 Hartree-Fock Theory -- 5.2.3 Spin-Polarization and Total Spin -- 5.2.4 Electron Density and Spin-Density -- 5.2.5 Post-Hartree-Fock Theory -- 5.2.6 Density Functional Theory -- 5.2.7 Relativistic Effects -- 5.2.8 Linear Response and Molecular Properties -- 5.3 Mössbauer Properties from Density Functional Theory -- 5.3.1 Isomer Shifts -- 5.3.1.1 Calibration Approach -- 5.3.1.2 An Example -- 5.3.1.3 Advanced Considerations -- 5.3.1.4 Linear Response Treatment -- 5.3.1.5 Solid State and Semiempirical Methods -- 5.3.1.6 Interpretation of the Isomer Shift -- 5.3.2 Quadrupole Splittings -- 5.3.2.1 Correlation with Experiment -- 5.3.2.2 Physical Interpretation of the Electric Field Gradient Tensor -- One Center Contributions -- One-Center Core Polarization -- One Center Valence Contributions. , Two Center Point-Charge Contributions -- Two-Center-Bond Contributions -- Three Center Contributions -- 5.3.2.3 An Example -- 5.3.2.4 Temperature-Dependent Quadrupole Splitting -- 5.3.3 Magnetic Hyperfine Interaction -- 5.3.3.1 Theory -- 5.3.3.2 Correlation with Experiment -- Isotropic Magnetic Hyperfine Couplings -- Anisotropic Hyperfine Interaction -- 5.3.3.3 Problems with Density Functional Theory -- 5.3.3.4 Physical Interpretation -- Isotropic Magnetic Hyperfine Interaction -- Dipolar Magnetic Hyperfine Interaction -- Spin-Orbit Coupling Contribution to the Magnetic HFC -- 5.3.3.5 An Example -- 5.3.4 Zero-Field Splitting and g-Tensors -- 5.4 Nuclear Inelastic Scattering -- 5.4.1 The NIS Intensity -- 5.4.2 Example 1: NIS Studies of an Fe(III)-azide(Cyclam-acetato) Complex -- 5.4.2.1 Normal Mode Compositions -- 5.4.3 Example 2: Quantitative Vibrational Dynamics of Iron Ferrous Nitrosyl Tetraphenylporphyrin -- References -- Chapter 6: Magnetic Relaxation Phenomena -- 6.1 Introduction -- 6.2 Mössbauer Spectra of Samples with Slow Paramagnetic Relaxation -- 6.3 Mössbauer Relaxation Spectra -- 6.4 Paramagnetic Relaxation Processes -- 6.4.1 Spin-Lattice Relaxation -- 6.4.2 Spin-Spin Relaxation -- 6.5 Relaxation in Magnetic Nanoparticles -- 6.5.1 Superparamagnetic Relaxation -- 6.5.2 Collective Magnetic Excitations -- 6.5.3 Interparticle Interactions -- 6.6 Transverse Relaxation in Canted Spin Structures -- References -- Chapter 7: Mössbauer-Active Transition Metals Other than Iron -- 7.1 Nickel (61Ni) -- 7.1.1 Some Practical Aspects -- 7.1.2 Hyperfine Interactions in 61Ni -- 7.1.2.1 Isomer Shifts -- 7.1.2.2 Magnetic Interactions -- 7.1.2.3 Electric Quadrupole Interactions -- 7.1.2.4 Combined Magnetic and Quadrupole Interactions -- 7.1.3 Selected 61Ni Mssbauer Effect Studies -- 7.2 Zinc (67Zn) -- 7.2.1 Experimental Aspects. , 7.2.2 Selected 67Zn Mssbauer Effect Studies -- 7.2.2.1 Gravitational Red Shift Experiments -- 7.2.2.2 Zinc Metal and Alloys -- 7.2.2.3 Inorganic Zinc Compounds -- 7.2.2.4 67Zn Mössbauer Emission Spectroscopy -- 7.3 Ruthenium (99Ru, 101Ru) -- 7.3.1 Experimental Aspects -- 7.3.2 Chemical Information from 99Ru Mssbauer Parameters -- 7.3.2.1 Isomer Shift -- 7.3.2.2 Quadrupole Splitting -- 7.3.2.3 Magnetic Splitting -- 7.3.3 Further 99Ru Studies -- 7.4 Hafnium (176,177,178,180Hf) -- 7.4.1 Practical Aspects of Hafnium Mssbauer Spectroscopy -- 7.4.2 Magnetic Dipole and Electric Quadrupole Interaction -- 7.5 Tantalum (181Ta) -- 7.5.1 Experimental Aspects -- 7.5.2 Isomer Shift Studies -- 7.5.3 Hyperfine Splitting in 181Ta (6.2keV) Spectra -- 7.5.3.1 Quadrupole Splitting -- 7.5.3.2 Magnetic Dipole Splitting -- 7.5.4 Methodological Advances and Selected Applications -- 7.6 Tungsten (180,182,183,184,186W) -- 7.6.1 Practical Aspects of Mössbauer Spectroscopy with Tungsten -- 7.6.2 Chemical Information from Debye-Waller Factor Measurements -- 7.6.3 Chemical Information from Hyperfine Interaction -- 7.6.4 Further 183W Studies -- 7.7 Osmium (186,188,189,190Os) -- 7.7.1 Practical Aspects of Mössbauer Spectroscopy with Osmium -- 7.7.2 Determination of Nuclear Parameters of Osmium Mössbauer Isotopes -- 7.7.2.1 Magnetic Moments and E2/M1 Mixing Parameter -- 7.7.2.2 Nuclear Quadrupole Moments -- 7.7.2.3 Change of Nuclear Charge Radii -- 7.7.3 Inorganic Osmium Compounds -- 7.8 Iridium (191,193Ir) -- 7.8.1 Practical Aspects of 193Ir Mssbauer Spectroscopy -- 7.8.2 Coordination Compounds of Iridium -- 7.8.3 Intermetallic Compounds and Alloys of Iridium -- 7.8.4 Recent 193Ir Mssbauer Studies -- 7.9 Platinum (195Pt) -- 7.9.1 Experimental Aspects -- 7.9.2 Platinum Compounds -- 7.9.3 Metallic Systems -- 7.10 Gold (197Au) -- 7.10.1 Practical Aspects. , 7.10.2 Inorganic and Metal-Organic Compounds of Gold.