Introduction to Structural Chemistry [electronic resource] /
Batsanov, Stepan S.author.
Batsanov, Andrei S.author.
Structural chemistry often suffers from fragmented approach, progressing either from the aggregate state (crystallography vs isolated molecule structure), from the method of investigation (X-ray diffraction, spectroscopy, compressibility, etc.) or from the type of substances (inorganic, organometallic, organic). The present book attempts to bridge these gaps, linking the properties of atoms, radicals, molecules, clusters, nano-particles, liquids, solutions, melts, glasses and crystalline solids. Geometrical structure is considered in its indissoluble unity with energetic properties and polarisability (and hence optical properties), using electronegativity as a unifying concept. Recent decades brought abundant and more precise structural measurements, as well as opening of whole new areas, e.g. non-classical crystals, high-pressure crystallography, real-time study of phase transitions, nanomaterials with their intricate size-effects, fullerenes and clusters, van der Waals molecules. The book gives an outline of these new developments, while showing that the old concepts and techniques, from atomic radii to refractometry, are still useful. Features: A survey of structural chemistry across different aggregate states (gas, liquid, glass, crystalline, nano-materials) Conceptual and numerical links between geometrical, thermodynamic, electronic and optical properties Up-to-date reference data, systematically presented and tabulated Critically revised tables of standard parameters - bond distances and energies, atomic radii, equations of state, etc.
Description based upon print version of record.
Foreword; Contents; Chapter1 Atom; 1.1 Ionization Potentials and Electron Affinities; 1.1.1 Ionization Potentials of Atoms; 1.1.2 Electron Affinity; 1.1.3 Effective Nuclear Charge; 1.2 Absolute Dimensions of Atoms; 1.3 Radii of Atoms in Molecules and Crystals; 1.3.1 Historical Outline; 1.3.2 Metallic Radii; 1.3.3 Covalent Radii; 1.4 Radii of Ions in Molecules and Crystals; 1.4.1 Methods of Estimating Ionic Radii; 1.4.2 Experimental (bonded) Ionic Radii; 1.4.3 Energy-Derived Ionic Radii; 1.4.4 Ultimate Ionic Radii; 1.4.5 Concluding Remarks; Appendix; Supplementary Tables
Supplementary ReferencesReferences; Chapter2 Chemical Bond; 2.1 Historical Development of the Concept; 2.2 Types of Bonds: Covalent, Ionic, Polar, Metallic; 2.2.1 Ionic Bond; 2.2.2 Covalent Bond; 2.2.3 Polar Bond, Effective Charges of Atoms; 2.2.4 Metallic Bond; 2.2.5 Effective Valences of Atoms; 2.3 Energies of the Chemical Interaction of Atoms; 2.3.1 Bond Energies in Molecules and Radicals; 2.3.2 Bond Energies in Crystals; 2.3.3 Crystal Lattice Energies; 2.3.4 Band Gaps in Solids; 2.4 Concept of Electronegativity; 2.4.1 Discussion About Electronegativity
2.4.2 Thermochemical Electronegativities2.4.3 Ionization Electronegativities; 2.4.4 Geometrical Electronegativities; 2.4.5 Recommended System of Electronegativities of Atoms and Radicals; 2.4.6 Equalization of Electronegativities and Atomic Charges; 2.5 Effective Charges of Atoms and Chemical Behavior; 2.6 Change of Chemical Bond Character under Pressure; 2.7 Conclusions; Appendix; Supplementary Tables; Supplementary References; References; Chapter3 ``Small'' Molecule; 3.1 Introduction; 3.2 Inorganic Molecules and Radicals; 3.2.1 Bond Distances; 3.2.2 Bond Angles. VSEPR Concept
3.2.3 Non-Stoichiometric and Unusual Molecules3.3 Organic Molecules; 3.4 Organometallic Compounds; 3.5 Clusters; 3.5.1 Boron Clusters; 3.5.2 Transition Metal Clusters; 3.5.3 Clusters of Main Group Elements; 3.5.4 Fullerenes; 3.6 Coordination Compounds; Appendix; Supplementary Table; Supplementary References; References; Chapter4 Intermolecular Forces; 4.1 Van der Waals Interaction; 4.2 Interdependence of the Lengths of Covalent and van der Waals Bonds; 4.3 Van der Waals Radii; 4.3.1 Introduction; 4.3.2 Crystallographic van der Waals Radii; 4.3.3 Equilibrium Radii of Atoms
4.3.4 Anisotropic van der Waals Radii4.3.5 Concluding Remarks; 4.4 Donor--Acceptor Interactions; 4.5 Hydrogen Bond; Appendix; Supplementary Tables; Supplementary References; References; Chapter5 Crystal Structure -- Idealised; 5.1 Structures of Elements; 5.1.1 Structures of Metals; 5.1.2 Structures of Non-Metals; 5.2 Binary Inorganic Crystalline Compounds; 5.2.1 Crystal Structures of Halides, Oxides, Chalcogenides, Pnictides; 5.2.2 Structures of Compounds with Diverse Bonds; 5.3 Interconversions of Crystal Structures; 5.4 Effective Coordination Number
5.5 Bond Valence (Bond Strength, Bond Order)
Includes bibliographical references and index.
Structural chemistry often suffers from fragmented approach, progressing either from the aggregate state (crystallography vs isolated molecule structure), from the method of investigation (X-ray diffraction, spectroscopy, compressibility, etc.) or from the type of substances (inorganic, organometallic, organic). The present book attempts to bridge these gaps, linking the properties of atoms, radicals, molecules, clusters, nano-particles, liquids, solutions, melts, glasses and crystalline solids. Geometrical structure is considered in its indissoluble unity with energetic properties and polarisability (and hence optical properties), using electronegativity as a unifying concept. Recent decades brought abundant and more precise structural measurements, as well as opening of whole new areas, e.g. non-classical crystals, high-pressure crystallography, real-time study of phase transitions, nanomaterials with their intricate size-effects, fullerenes and clusters, van der Waals molecules. The book gives an outline of these new developments, while showing that the old concepts and techniques, from atomic radii to refractometry, are still useful. Features: A survey of structural chemistry across different aggregate states (gas, liquid, glass, crystalline, nano-materials) Conceptual and numerical links between geometrical, thermodynamic, electronic and optical properties Up-to-date reference data, systematically presented and tabulated Critically revised tables of standard parameters - bond distances and energies, atomic radii, equations of state, etc.
Medicine.
Physical chemistry.
Crystallography.
Nanoscale science.
Nanoscience.
Nanostructures.
Atomic structure  .
Molecular structure .
Solid state physics.
Biomedicine, general.
Physical Chemistry.
Crystallography and Scattering Methods.
Nanoscale Science and Technology.
Atomic/Molecular Structure and Spectra.
Solid State Physics.