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Philipp Gütlich
Eckhard Bill
Alfred X. Trautwein
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Mössbauer Spectroscopy and
Transition Metal Chemistry
An attached CD-ROM with more than 400 full-color PowerPoint images provides
self-explanatory examples. After an initial period this supplementary material will be
available at extra.springer.com
The book concentrates on teaching the technique using theory as much as needed and as
little as possible. The reader will learn the fundamentals of the technique and how to apply
it to many problems of materials characterization. Transition metal chemistry, studied on
the basis of the most widely used Mössbauer isotopes, will be in the foreground.
ISBN 978-3-540-88427-9
›
springer.com
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1
Mössbauer Spectroscopy and
Transition Metal Chemistry
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Mössbauer spectroscopy is a profound analytical method which has nevertheless
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continued to develop. The authors now present a state-of-the art book which consists of
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two parts. The first part details the fundamentals of Mössbauer spectroscopy and
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is based on a book published in 1978 in the Springer series ’Inorganic Chemistry Concepts‘
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by P. Gütlich, R. Link and A.X. Trautwein. The second part covers useful practical –aspects
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measurements, and the application of the techniques to many problems of materials
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racterization. The update includes the use of synchroton radiation and many instructive
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illustrative examples in fields such as solid state chemistry, biology and physics,–materials
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and the geosciences, as well as industrial applications. Special chapters on magnetic
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relaxation phenomena (S. Morup) and computation of hyperfine interaction parameters
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(F. Neese) are also included.
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Gütlich · Bill
Trautwein
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Philipp Gütlich
Eckhard Bill
Alfred X. Trautwein
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Mössbauer
Spectroscopy and
Transition Metal
Chemistry
Fundamentals and Application
123
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Contents
I - Lecture notes: “Mössbauer Spectroscopy: Principles
and Applications” (Philipp Gütlich)
II - Selected Applications of Mössbauer Spectroscopy
(contributions from different groups)
1. Physics
2. Chemistry
3. Biology
4. Geosciences
5. Archeology
6. Industrial application
III - Computation and Interpretation of Mössbauer Parameters
1. Mössbauer parameters from DFT-based
WIEN2k calculations for extended systems
(Peter Blaha)
2. Computation and Interpretation of Mössbauer
Parameters of Fe-bearing Compounds
(Michael Grodzicki and Stefan Lebernegg)
3. Appendix to Chapter 5:
Linear Response Theory
and Mathematical Development
of Nuclear Inelastic Scattering Theory
(Frank Neese and Taras Petrenko)
IV - Properties of Isotopes Relevant to Mössbauer
Spectroscopy (John G. Stevens, Airat M. Khasanov, Nina F. Hall,
and Irina A. Khasanova)
V - “Mossbauer Spectroscopy and Transition Metal
Chemistry”, 1st edition
Springer-Verlag, Berlin Heidelberg New York, 1978
P. Gütlich, R. Link, A. Trautwein
Contents
Mössbauer Spectroscopy
Part I
Philipp Gütlich
Lecture series
“Mössbauer Spectroscopy – Principles and Applications”
• Acknowledgement
• Introduction
• Principle of the Mössbauer Effect and Basic Concepts of
Mössbauer Spectroscopy
• Experimental Resonance Conditions
• Sharpness of resonance
• Recoil Effect
• Cross-section for Resonant Absorption
• Comparison Between Electronic and Nuclear Transitions
• Lattice dynamics
• Lamb-Mössbauer-Factor (Debye-Waller-Factor)
• Mössbauer-Experiment (Mössbauer spectrometer)
• Hyperfine Interactions and Mössbauer parameters:
• Isomer Shift
• Electric Quadrupole Splitting
• Magnetic Dipole Splitting
•
•
•
•
•
•
•
•
•
•
•
•
Applications:
Transition Metal Compounds
Bioinorganic Compounds
Spin Crossover
Molecular magnetism
Mössbauer Emission Spectroscopy
Industrial Applications
Phase Transitions
Mobile Mössbauer Spectroscopy with MIMOS
MIMOS on Mars
MIMOS on Earth
Mössbauer Spectroscopy in Daily Life
Contents
Part II
Applications of Mössbauer spectroscopy:
Contributions from different laboratories
1. Physics
Title of contribution
Determination of the size of Fe nanograins in Ag
Authors
J. Balogh,
D. Kaptás,
L. F. Kiss, I. Vincze,
A. Kovács,
M. Csontos,
G. Mihály
J.M. Cadogan and
D.H. Ryan
File name
Balogh_Fe nano-grains.ppt
Comparing erbium moments derived from
166
Er Mössbauer spectroscopy and
neutron diffraction
D.H. Ryan,
J.M. Cadogan
Cadogan_166Er MS of Er3Ge4.ppt
The first-order magnetostructural
transition in Gd5Sn4
Quantitative analysis of iron ore
processing
169
Tm Mössbauer Spectroscopy
D.H. Ryan
Cadogan_119Sn MS in Gd5Sn4.ppt
J.M. Cadogan
Cadogan_Iron ore processing.ppt
J.M. Cadogan
Cadogan_169Tm MS of Tm
alloys.ppt
Cadogan_170Yb MS of
YbMn2(SiGe)2.ppt
Independent magnetic ordering of the Er
and Fe sublattices in ErFe6Sn6
Cadogan_Magnetism of
ErFe6Sn6.ppt
Yb valence in YbMn2(Si,Ge)2
J.M. Cadogan,
D.H. Ryan
Integral Low-Energy Electron Mössbauer
Spectroscopy (ILEEMS):
a useful variant for true surface studies
σ-Phase in Fe-Cr and Fe-V Systems
E. De Grave,
R. E. Vandenberghe
DeGrave_ILEEMS.ppt
S. M. Dubiel
Harmonically modulated structures
S. M. Dubiel
Ferric fluorides: crystalline, amorphous
and nanostructured states
J. M. Greneche
Dubiel _sigma Phase in Fe-Cr and
Fe-V.ppt
Dubiel_Harmonically modulated
structures.ppt
Greneche_Ferric Fluorides.ppt
Rf-Mössbauer study of the magnetic
properties of nanocrystalline FeNiZrB and
FeNiCoZrB alloys
M. Kopcewicz,
T. Kulik
Kopcewicz_Rf MS in FeNiZrB and
FeNiCoZrB alloys.ppt
Crystallization of amorphous alloys
induced by the rf magnetic field
M. Kopcewicz
Kopcewicz_Amorphous alloys.ppt
Nanocrystalline alloys:
I. Hyperfine Interactions
Nanocrystalline alloys:
II. Hyperfine Interactions
Imaging the Magnetic Spin Structure of
Exchange Coupled Thin Films
Mössbauer spectroscopic studies
M. Miglierini et al.
Miglierini_Nanocrystalline
alloys.part1.ppt
Miglierini_Nanocrystalline
alloys.part2.ppt
Roehlsberger_Spin Structure in Thin
Films .ppt
Shinjo_Multilayers.ppt
Ditellurides of 3d transition metals
studied
by 57Fe and 125Te Mössbauer
spectroscopy
P. Fornal, J. Stanek
Stanek_57Fe and 125Te of
ditellurides.ppt
Relativistic Effects in Gold
Chemistry. Part 1
J. Stanek
Stanek_Relativistic Effects in
Au.part1.ppt
Relativistic Effects in Gold
Chemistry. Part 2
J. Stanek
Stanek_Relativistic Effects in
Au.part2.ppt
Nanosized magnetic clusters and their
relation to magnetoresistance in FeCr2S4
spinel
Z. Klencsár,
E. Kuzmann,
Z. Homonnay,
A. Vértes,
A. Simopoulos,
E. Devlin, G. Kallias
Klencsar_Magnetoresistance in
FeCr2S4 spinel.ppt
M. Miglierini et al.
R. Röhlsberger
T.Shinjo
Contents
2. Chemistry
Title of contribution
Mössbauer spectroscopy under magnetic
field to explore the low temperature spin
structure in a molecular layered
ferrimagnet
Metal-to-metal electron transfer and
magnetic interactions in a mixed-valence
Prussian blue analogue
Authors
A. Bhattacharjee,
P. Gütlich et al.
File name
Bhattacharjee_Layered
Ferrimagnet.ppt
A. Bhattacharjee,
P. Gütlich et al.
Bhattacharjee_Prussian Blue
Analogue.ppt
Fe(II) High Spin ↔ Low Spin Transition in
[FeII(isoxazole)6](X)2, X = BF4, ClO4
A. Bhattacharjee,
P. Gütlich et al.
Bhattacharjee_Spin crossover.ppt
Thermal and light-induced spin transition
in iron compounds
Mössbauer studies of the interaction of
oxygen with solid β-FeIIphthalocyanine
P. Gütlich et al.
Guetlich_Spin crossover.ppt
E. Kuzmann,
Z. Homonnay,
A. Vértes,
S. Li, H. Yin,
Y. Wei,
A. Nath, X. Chen,
J. Li
Kuzmann_Fe_phthalocyanine.ppt
157 T internal magnetic field in
Fe[C(SiMe3)3]2 compound at 20K
E. Kuzmann,
R. Szalay,
A. Vértes,
Z. Homonnay,
I. Pápai, P. de
Châtel, L. Szepes
Kuzmann_Field in
Fe[C(SiMe3)3]2.ppt
Nuclear inelastic scattering on spin
crossover complexes
H. Paulsen and
A.X. Trautwein
Luebeck_NIS_Spin crossover.ppt
Pressure-induced changes of the
vibrational modes of spin-crossover
complexes studied by nuclear resonance
scattering of synchrotron radiation
A.X. Trautwein,
H. Paulsen,
H. Winkler
H. Giefers,
G. Wortmann
H. Toftlund
J.A. Wolny
A.I. Chumakov,
O. Leupold
Luebeck_NIS_Spin
crossover_Pressure.ppt
Photoswitching of nitroprussides
V. Rusanov,
Sv. Stankov,
H. Paulsen,
A. X. Trautwein
Luebeck_Nitroprussides.ppt
Trinuclear mixed-valent oxo-centered iron
complexes: fully localised, partially and
fully delocalised valencies
R.W. Saalfrank,
A. Scheurer,
V. Schünemann,
A.X. Trautwein
Luebeck_Trinuclear mixed
valent.ppt
Unconventional valence transition in
biferrocenium charge-transfer complexes
T. Mochida
Mochida_Biferrocenium.ppt
Exotic dimers part one: the case of the
vanishing hyperfine field
W. M. Reiff,
J.S. Miller,
J. H. Zhang and
D. O’Hare
Reiff_Donor Acceptor.ppt
Exotic dimers part two: a high-spin
ferrous dimer that exhibits genuine
spontaneous long range 3d-magnetic
order in zero field and metamagnetism
W. M. Reiff,
M. Feist, and
E. Kemnitz
Reiff_HS Ferrous Dimer.ppt
Direct spectroscopic evidence of orbital
magnetism of essentially free ion
magnitude in a rigorously linear twocoordinate high-spin Fe (II) compound
W. M. Reiff,
A. M. LaPointe, and
C. E. Schulz
Reiff_Largest magnetic field.ppt
Zero and applied field Mössbauer
spectroscopy investigations of magnetic
frustration in certain classic Werner
complexes above and below 1K
W. M. Reiff,
L. Tákács,
M. J. Kwiecien
Reiff_Magnetic frustration.ppt
Reversible, reductive, topotactic metal ion
insertion chemistry of ferric networks à
La Chimie Douce
W. M. Reiff,
L. Tákács,
J. Tákács,
K. Lázár,
C. C. Torardi
Reiff_Metal Ion Insertion.ppt
Spin states of highly deformed iron(III)
porphyrin complexes studied by 57Fe
Mössbauer spectroscopy
M. Nakamura,
M. Takahashi
Takahashi_Porphyrins.ppt
Electronic phase separation in cobaltate
perovskites
Z. Németh,
Z. Klencsár,
Z. Homonnay,
E. Kuzmann,
A. Vértes
Vertes_Cobaltate perovskites.ppt
Mössbauer spectroscopic study
of the structure of an iron(III) complex
with indole-3-acetic acid
in acidic aqueous solutions
K. Kovács,
A. A. Kamnev,
E. Kuzmann,
A. Vértes
Vertes_Indole complexes.ppt
Contents
3. Biology
Title of contribution
Time-dependent analysis of magnetite
nanoparticles in magnetospirillum
gryphiswaldense
Authors
L. H. Böttger,
D. Faivre,
D. Schüler,
B. F. Matzanke
File name
Luebeck_Nanoparticles in
Magnetospirillum.ppt
Siderophore reductase FhuF - a case
study
B. F. Matzanke
Matzanke_Siderophore
Reductase.ppt
Mössbauer spectroscopy of microbial
iron metabolization
B. F. Matzanke,
M. Brandenburger,
L. H. Böttger
Matzanke_Microbial Iron
Metabolization.ppt
Dynamics of proteins Mössbauer
spectroscopy
in energy and time
K. Achterhold,
F.G. Parak
Parak_Dynamics of proteins.ppt
Intermediates in the reaction cycle of
cytochrome P450cam
V. Schünemann,
C. Jung,
A.X. Trautwein
Schuenemann_Cytochrome
P450.ppt
A comprehensive Mössbauer study of the
iron uptake strategies in plants
K. Kovács,
E. Kuzmann,
F. Fodor , A. Vértes
Kovacs_Iron Uptake in Plants.ppt
Contents
4. Geoscience
Title of contribution
Green rusts and the corrosion of iron
based materials
Authors
J.-M. R. Génin et
al.
File name
Genin_Green rust corrosion.ppt
The FeII-III oxyhydroxycarbonate fougerite
mineral and green rusts in
hydromorphous soils
FeII-III (oxy)hydroxycarbonate green rusts;
from ferri- to ferromagnetism
J.-M. R. Génin et
al.
Genin_Fougerite.ppt
J.-M. R. Génin et
al.
Genin_Ferri- and ferromagnetism in
green rust.ppt
Applications of Mössbauer spectroscopy
to studies of the Earth’s interior
Mössbauer spectroscopy of geological
materials
C. McCammon
McCammon_Earth’s Interior.ppt
E. Murad
Murad_Geological materials.ppt
Contents
5. Archeology
Title of contribution
Selected Applications of MIMOS II in
Archaeology
Mössbauer Spectroscopy in Archaeology
I:
Precolumbian Pottery from Northern Peru
Mössbauer Spectroscopy in Archaeology
II:
Celtic Ceramics in Central Europe
Gold in Ruby Glass: A 197Au Mössbauer
Study
Authors
P. de Souza,
G. Klingelhöfer,
B. Bernhard,
P. Gütlich
I. Shimada,
U. Wagner,
F. E. Wagner
R. Gebhard,
U. Wagner,
F. E. Wagner
S. Haslbeck, K.-P.
Martinek, L.
Stievano F. E.
Wagner
File name
de Souza_Selected applications
with MIMOS.ppt
Wagner_Precolumbian Pottery.ppt
Wagner_Celtic Ceramics.ppt
Wagner Gold Glass.ppt
Contents
6. Industrial application
Title of contribution
Air Pollution Source Assessment
using MIMOS II
Chernobyl fallout studied by Mössbauer
spectroscopy
Mössbauer measurements on dollar and
euro money pigments
Authors
P. de Souza,
G. Klingelhöfer,
P. Gütlich
V. Rusanov,
V. Gushterov,
H. Winkler,
A. X. Trautwein
File name
de Souza_Environmental Studies
with MIMOS.ppt
V. Rusanov,
K. Chakarova,
H. Winkler,
A. X. Trautwein
Luebeck_Fake money.ppt
Luebeck_Chernobyl.ppt