Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni

• Pubblicazione: Weinheim, : Wiley-VCH, c2007
• Descrizione fisica: 1 online resource (363 p.)
• Disciplina: 548
• Soggetto topico: Crystals; Crystal growth; Crystallography
• Altri autori: BragaDario GrepioniFabrizia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: Making Crystals by Design; List of Contents; Preface; List of Contributors; 1 Geometry and Energetics; 1.1 Supramolecular Interactions: Energetic Considerations; 1.1.1 Introduction; 1.1.2 Enthalpy; 1.1.2.1 The Quantistic Approach: Molecular Orbital (MO) Theory; 1.1.2.2 The Quantistic Approach: Density Functional Theory (DFT); 1.1.2.3 The Quantistic Approach: the Crystal Orbital Method; 1.1.2.4 The Classical Approach: Vibrational and Nonbonded ("Force Field") Energies; 1.1.2.5 Semi-classical Approaches: the SCDS-Pixel Method; 1.1.2.6 Supramolecular Energies; 1.1.3 Entropy ; 1.1.3.1 Statistical and Classical Entropy1.1.3.2 Lattice Dynamics [15] and Lattice Vibration Frequencies; 1.1.3.3 Entropy and Dynamic Simulation; 1.1.4 Free Energy; 1.1.4.1 Complexation and Evaporation/Sublimation; 1.1.4.2 Melting and Polymorphism; 1.1.5 Tutorial Examples; 1.1.5.1 Dimerization Energies, a Scale of Intermolecular Interactions; 1.1.5.2 Calculation of Lattice Energies, Force Field Methods versus Pixel; 1.1.5.3 Energy Partitioning by Pixel; 1.1.5.4 Analysis of Crystal Structures ; 1.2 Understanding the Nature of the Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective1.2.1 Introduction; 1.2.2 Intermolecular Interactions; 1.2.2.1 Interactions and Bonds: When Do Intermolecular Interactions Become Bonds?; 1.2.2.2 The Nature of the Intermolecular Interactions; 1.2.2.3 Types of Intermolecular Interactions and Intermolecular Bonds Found in Molecular Crystals; 1.2.2.4 Hydrogen Bonds; 1.2.2.5 Existence of Intermolecular Bonds in Crystals; 1.2.2.6 Intermolecular Bonds in Crystals; 1.2.3 Summary; 1.3 Networks, Topologies, and Entanglements ; 1.3.1 Introduction1.3.2 Rationalization and Simplification of the Extended Structures; 1.3.3 Topological Classification of Networks; 1.3.3.1 Nomenclature for Single Nets: Schläfli and Vertex Symbols; 1.3.3.2 Tiling Theory and Topological Approaches to Making Crystals; 1.3.3.3 Self-catenated Networks; 1.3.4 Entangled Systems; 1.3.4.1 Types of Entanglements; 1.3.4.2 Interpenetrating Networks; 1.3.4.3 Polycatenated Networks; 1.3.4.4 Borromean Networks; 1.3.4.5 Other Entanglements; 1.3.5 Conclusions; 2 Design and Reactivity; 2.1 Prediction of Reactivity in Solid-state Chemistry ; 2.1.1 Introduction2.1.2 Topochemistry and Topotaxy; 2.1.3 Far-reaching Molecular Migrations in Solid-state Reactions (AFM, GID, SNOM) and Experimental Solid-state Mechanism; 2.1.4 Face Selectivity of Reactivity; 2.1.5 Some of the Important Failures of Topochemistry and Their Remedy by the Experimental Mechanism; 2.1.6 Molecular Migrations in the Absence of Severe Local Pressure; 2.1.7 Multiple Cleavage Planes; 2.1.8 Various Types of Cleavage Planes; 2.1.9 Channels; 2. 1.10 Closed Voids; 2. 1.11 Interpretation of Some Recent Literature Data ; 2. 1.12 Applications in Addition to Solid-state Syntheses
• Sommario/riassunto: An excellent overview of the manifold aspects of modern crystal engineering. From design and preparation to spectroscopy and applications, this handbook both covers and evaluates all aspects of crystal engineering. Clearly structured, it provides an overview of the current status as seen from its various angles as well as a comparison of different techniques and applications.An essential source of high quality information for everyone working in this booming and interdisciplinary field: spectroscopists, physical and inorganic chemists as well as materials scientists working in nanotechnolo
• Titolo autorizzato: Making crystals by design
• ISBN: 1-280-85446-4; 9786610854462; 3-527-61011-1; 3-527-60965-2
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910840784603321
• Lo trovi qui: Univ. Federico II