: Istvan Hargittai, Balazs Hargittai
: Science of Crystal Structures Highlights in Crystallography
: Springer-Verlag
: 9783319198279
: 1
: CHF 89.50
:
: Anorganische Chemie
: English
: 331
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A volume which includes entries on quasicrystals, icosahedral packing, other packing considerations, extended structures, data treatment and data mining is presented by luminaries from the crystallography community. Several of the contributions are from the schools of such trend-setting crystallographers as J. Desmond Bernal and Aleksandr I. Kitaigorodskii. Internationally renowned scientists contributed such as Tom L. Blundell, Johann Jacob Burckhardt, John L. Finney, Jenny P. Glusker, Nobel laureate Herbert A. Hauptman, the 2014 Ewald-Prize winner A. Janner, Aminoff-Prize winner Isabella Karle, Nobel laureate Jerome Karle, Buckley-Prize winner Alan L. Mackay, Ewald-Prize winner David Sayre, Vladimir Shevchenko, and J. Fraser Stoddart. A few frontier topics dominate the selected material. Pioneers of the direct methods describe the phase problem and how it was solved, including the mathematical approach and the utilization of experience with gas-phase electron diffraction. The reviews by Herbert Hauptman, Jerome and Isabella Karle, and David Sayre reach to the present day in assessing the possibilities of X-ray crystallography. Another focus topic is the investigation of systems that are outside the so-called classical system of crystals. They include quasicrystals, imperfect and very small crystals, supramolecular species, crystal structures without lattice, clusters, nanomaterials among others. Application of synchrotron and cryoprotection techniques, the free-electron laser flash technique and others are mentioned in addition to X-ray crystallography. The relationship between structural and materials properties are examined and uncovered. The broader topics of the so-called generalized crystallography include polymers, clusters, polydisperse chain assemblies, and giant icosahedral fullerenes. There are some key contributions related to the structural investigation of biological macromolecules.



Istvan Hargittai, PhD, DSc, is Professor Emeritus (Active) of the Budapest University of Technology and Economics. He is a member of the Hungarian Academy of Sciences and the Academia Europaea (London) and foreign member of the Norwegian Academy of Science and Letters. He is Dr.h.c. of Moscow State University, the University of North Carolina and the Russian Academy of Sciences. He is the Editor-in-Chief of Structural Chemistry, an international research journal by Springer-Verlag.

Balazs Hargittai, PhD (University of Minnesota), is Professor of Chemistry of Saint Francis University, Loretto, Pennsylvania. He is also Associate Dean, School of Sciences and Director of the Office of Student Research of Saint Francis University. He was co-author of Candid Science V (Imperial College Press, London) and of Great Minds--Reflections of 111 Top Scientists (OUP, New York). He has been active in publishing and editorial activities in addition to his research and teaching. 

Also by the Editors8
Preface10
Contents12
Part I: Direct Methods15
X-Ray Crystallography: The Past and Present of the Phase Problem16
Introduction16
Part I: Crystals and Bragg Spots17
Fourier Refinement (Early 1930s)17
The Patterson Map (1934), Heavy Atoms (Mid- and Later 1930s)17
Three Brief Digressions18
The State of Affairs at the Start of the Postwar Period (1946)18
A Bit of Personal History18
The Beginnings of Digital Computation (Late 1940s, Early 1950s)19
Direct Methods (Late 1940s–Present)19
Macromolecules: DNA (1953), Isomorphous Replacement (1953–Present)20
Macromolecules: Anomalous Dispersion (1949–Present)21
Macromolecules: Additional Methods21
One More Method: Three-Beam Diffraction (1977–Present)22
The Sparse or “Dream” Crystal22
Part II: Finer Sampling (1980–Present)23
Overview and Brief History23
The Two Probable Experimental Regimes24
The Free-Electron Laser-Flash Technique for Molecules24
A Synchrotron/Cryoprotection Technique for Supramolecular Specimens24
Phasing the Pattern26
Summary28
References30
History of X-Ray Crystallographya32
References35
Gas Electron Diffraction and Its Influence on the Solution of the Phase Problem in Crystal Structure Determinationa36
Introduction to Gas Electron Diffraction36
Getting Started at NRL37
Problems to Be Overcome38
Early Studies39
Implications39
Non-negativity40
The Period Between the 1940s and 196340
Introduction40
Historical Background41
Titles of Additional Topics42
The Remaining Problem43
Some Later Structure Analyses45
References46
Part II: Beyond the Classical System48
Generalized Crystallography49
Introduction49
The Reality of Spatial Structure50
Generalised Microscopy50
Generalized Geometric Algebra (Clifford Algebra)51
The Description of Structure51
Crystal Chemistry and Informatics52
Recognition of Higher Level Structure52
Hierarchic Structures52
Synthesis on Growth and Form52
References53
Mackay, Anti-Mackay, Double-Mackay, Pseudo-Mackay, and Related Icosahedral Shell Clustersa,b55
Introduction55
Icosahedron and Related Polyhedra56
Icosahedral Shell Structures57
Hierarchic Icosahedral Structures59
I13(I) Cluster60
I13(V) Cluster61
I13(P) Cluster61
References63
Crystallography Without a Latticea,b65
Prologue65
Introduction66
Experimental67
Theory68
Results68
Partial Radial Distribution Functions68
Spatial Distribution Functions72
Orientational Distribution Functions74
Structural Basis of the Hydrophobic Interaction77
Conclusions79
References80
Polygrammal Symmetries in Biomacromolecules: Heptagonal Poly d (As4T) · poly d (As4T) and Heptameric ?-Hemolysina,b81
Introduction81
Crystallography of Star Heptagons83
?-Hemolysin87
Poly d(As4T) · poly d(As4T)88
References91
Helical Structures: The Geometry of Protein Helices and Nanotubesa,b92
Introduction92
Nomenclature92
Metrical Parameters of a CHL93
Metrical Parameters of a THP93
The Boerdijk–Coxeter Structure95
Sphere Packings95
Extension of the Helical Sphere Packing96
Nanotubes97
Collagen and the Polytope {3, 3, 5}97
Defects in THPS and Nanotubes98
Miscellany99
Conclusions101
References101
From Waxes to Polymers—Crystallography of Polydisperse Chain Assembliesa,b102
Introduction102
Why Electron Diffraction?102
n-Paraffin Binary Solid Solutions103
Fractionation of n-Paraffin Binaries—Miscibility Gap105
Fractionation of n-Paraffin Binaries—Eutectic Interactions106
“Typical” Lamellar Paraffin Wax Structures106
From Wax to Polymer Crystal—Interlayer Bridges107
What Is Wax and What Is Polyethylene?109
References109
Structure, Chirality, and Formation of Giant Icosahedral Fullerenes and Spherical Graphitic Onionsa,b111
Introduction111
Euler’s Law in Graphitic Structures112
Stability of Giant Icosahedral Fullerenes and Geometrical Rules113
Polyhedral Particles and Graphitic Onion Formation116
Sphericity of Graphitic Onions117
Conclusions120
References121
A Generalized Model for the Shell Structure of Icosahedral Virusesa123
Introduction123
Capsids of Non-Quasi-Equivalent Viruses124
Concluding Remarks125
References126