EXAFS and Near Edge Structure: Proceedings of the International Conference, Frascati, Italy, September 13-17, 1982

The field of X-ray spectroscopy using synchrotron radiation is growing so rapidly and expanding into such different research areas that it is now diffi- cult to keep up with the literature. EXAFS and XANES are becoming interdis- ciplinary methods used in solid-state physics, biology, and chemistry, and are making impressive contributions to these branches of science. The present book gives a panorama of the research activity in this field. It contains the papers presented at the International Conference on EXAFS and Near Edge Structure held in Frascati, Italy, September 13-17, 1982. This was the first international conference devoted to EXAFS spectroscopy (Extended X-ray Ab- sorption Fine Structure) and its applications. The other topic of the con- ference was the new XANES (X-ray Absorption Near Edge Structure), which in of experimental and theoretical developments finally appears to have terms left its infancy. The applications of EXAFS concern the determination of local structures in complex systems; we have therefore divided the subject matter into differ- ent parts on various types of materials: amorphous metals, glasses, solu- tions, biological systems, catalysts, and special crystals such as mixed valence systems and ionic conductors. EXAFS provides unique information for each kind of system, but the analysis of EXAFS data also poses special prob- lems in each case. General problems of EXAFS data analysis are discussed, as well as developments in instrumentation for X-ray absorption using syn- chrotron radiation and laboratory EXAFS.

Historical Perspective of EXAFS and Near Edge Structure Spectroscopy.- I Theoretical Aspects of EXAFS and XANES.- The Transition Region Between XANES and EXAFS.- Bond Angle Determination by EXAFS: A New Dimension.- Role of Inelastic Effects in EXAFS.- Relaxation Effects in Inner-Shell Photoemission and Absorption.- Multiple Scattering Calculations of XANES.- Near Edge Absorption Structure in the Framework of the Multiple Scattering Model. Potential Resonances or Barrier Effects?.- Bond Length Determination Using XANES.- Double Ionization in Inner Shells.- II EXAFS Data Analysis.- The Reliability of ab initio Calculations in Extracting Structural Information from EXAFS.- EXAFS Analysis in Anisotropic Systems.- EXAFS in Metallurgy.- The Effect of the Noise on the Structural Parameters Deduced by EXAFS.- Debye-Waller Factors in R-space Analysis.- Thickness Effects on the Determination of EXAFS Amplitudes.- Thickness Effects in X-Ray Absorption Measurements.- Interference and Multiple Scattering Effects in Porphyrinic Complexes.- Multiple Scattering Effects in the EXAFS of Fe and TiFe.- A Model Comparison Between EXAFS and X-Ray Scattering.- EXAFS Database and Program Library.- Regular Methods in Real-Space Analysis of EXAFS.- Regular Methods of Solving Inverse Problems in Spectroscopy.- III XANES.- XANES Spectroscopy for Local Structures in Complex Systems.- Experimental and Theoretical XANES Studies of Selected Vanadium Compounds.- X-Ray Absorption of Crystalline Titanium Compounds: Evidence of Electronic Relaxation Effects.- Application of XANES to the Study of AsF5-Graphite Intercalation Compounds.- XANES of 3d Elements: Effects of Local Symmetry Evidenced Using High-Resolution Spectra.- The Adsorption of Oxygen on Nickel (001) Studied by XANES.- Near Edge Structure in Cerium and Cerium Compounds.- XANES at High-Pressure Phase Transitions.- Near Edge and EXAFS Studies of Amorphous Pd-Ge and Ni-Zr Alloys.- XANES Determination of V-Mixed Valence State in (V2O5)x(P2O5)100?x Binary Oxide Glasses.- L Edge Absorption Systematics of Some Transition-Metal (Pd,Ag), Main-Group-Metal (Sn,In) and Ionic (CsI) Systems.- X-Ray Absorption Spectra of Ruthenium L Edges in Ru(NH3)6Cl3.- Study of XANES at the K Absorption Edge in Some 3d Compounds.- Generalized Oscillator Strength for K-Shell Near Edge Structures in N2.- High-Resolution Analysis of the L2,3 White Lines of Pd.- IV Special Crystalline Systems.- Structural Studies of Superionic Conduction.- EXAFS and Near Edge Structures in Mixed Valent Sm1?xYxS and the Energy Threshold Puzzle.- High-Pressure EXAFS Study on Mixed Valent SmS.- Peculiarities of the EXAFS Spectra of III–VI Layered Compounds.- EXAFS Studies of Disorder in Crystalline Solids.- EXAFS Studies of Krypton Atoms in Matrices of Argon and Nitrogen.- EXAFS and XANES Investigations of Trace V and Ti in Coal.- Characterization of the Valence States of Iron in Spinels by X-Ray Absorption and Emission Spectroscopy.- High-Pressure Study of LIII Absorption Edges of Rare-Earth Mixed Valence Systems.- EXAFS of Antimony LIII Edge of Ferroelectric SbSI Above the Phase-Transition Temperature.- Structure of LaNi02 by EXAFS and X-Ray Diffraction: Local Environment of Ni+1.- EXAFS Study of the Disorder Effect Induced in Layered MnPS3 by Intercalation of Cations.- Structural Properties of Cd1?xMnxTe by EXAFS.- Oxidation States of Nickel in Reduced Phases of LaNi03 by XANES and EXAFS.- V Liquids and Disordered Systems.- Application of EXAFS and XANES to Structural Studies of Metallic Glasses.- EXAFS and X-Ray Diffraction in Solutions.- Local Order in Oxide Glasses.- EXAFS and XANES Spectra of Calcium Silicate Glasses.- EXAFS and XANES Investigation of the Coordination of Technetium in Borosilicate Glass.- Germanium Environment in Simple and Multi-Component Oxide Glasses.- Local Structure in Mixed Electrolytes.- Lattice Relaxation Around a Br? Ion in KCl1?xBrx.- Elastic Core Effect in Isovalent Solid Solutions.- Transition-Metal and Metalloid Contributions to EXAFS in Amorphous Alloys and Crystalline Compounds.- EXAFS Studies of Glassy Ni66B33: A Multi-Shell Modeling of the Ni-Ni Distribution.- EXAFS Study of Co1?xBx Glasses.- EXAFS on (AgI)x(Ag2O n B2O3)1?x Superionic Glasses.- Short-Range Order in Fe78?xNixB18Mo4 (x = 38,20,10,0) Metallic Glasses as Deduced by EXAFS Data.- VI Catalysts.- EXAFS on Catalysis.- EXAFS Studies of Metal-Ion Exchanged Layer Structures.- Fluorescence EXAFS of MgCl2-Supported Titanium Trichloride.- An EXAFS Study of a Highly Dispersed Rh/Al2O3 Catalyst.- EXAFS Investigation of TiO2-V2O5 Catalysts.- Correlation Between Catalytic Activity and EXAFS Studies of “Classical” and “Inorganic-Cluster-Derived” Platinum Catalysts.- EXAFS Studies of Industrial Pt/Al2O3 Catalysts.- EXAFS Study of Short-Range Order in Transition Aluminas.- Zeolite-Supported Rh Catalysts for Methanol Carbonylation: X-Ray Absorption Measurements.- VII Biological Systems.- EXAFS of Calcium in Biological Systems.- EXAFS Studies of Zinc and Copper in Chemical and Biochemical Systems.- A XANES Study of Co(II) in Cobalt Model Compounds and in Some Cobalt-Substituted Enzyme.- Mn(II) Binding to Nucleotides and Nucleic Acids.- On the Investigation by EXAFS Spectroscopy of a Selenocarbonyl Complex (CSe = Fe(II)TPP).- X-Ray Iron K Edge of Human Hemoglobins.- XANES of Calmodulin: Differences and Homologies Between Calcium-Modulated Proteins.- Nickel-Containing Enzyme: Urease.- VIII Related Techniques — Anomalous Scattering.- Anomalous X-Ray Scattering and Its Relationship to EXAFS.- Simultaneous Measurements of the Real and Imaginary Parts of the X-Ray Anomalous Dispersion Using X-Ray Interferometers.- Interferometric Measurement of Absorption µ(E) and Dispersion f?(E) at the K Edge of Copper.- Anomalous Scattering Factors from X-Ray Absorption Data by Kramers-Kronig Analysis.- IX Related Techniques — Electron Energy Loss.- Extended Energy Loss Fine Structure (EELFS) Technique: Bulk and Surface Investigation.- Extended Fine Structure in APS.- Geometrical Structure of Graphitic Carbon on Ni(111) Studied by Extended Energy Loss Fine Structure Spectroscopy (EELFS).- Oxygen on Ni(100): A Surface-Extended Energy Loss Fine Structure (SEELFS) Study.- X Instrumentation.- Laboratory EXAFS Systems.- Time-Resolved EXAFS.- A Versatile Spectrometer for Laboratory EXAFS Studies.- A Sample Cell for in situ EXAFS Measurements.- SSRL Beam Line Wunder.- Index of Contributors.