Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering

Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering

By: Juan Novoa (author), Sason Shaik (contributor), Timothy Korter (contributor), Matta Matta (contributor), Pavel Hobza (contributor), Bacchi Bacchi (contributor), Paola Gilli (contributor), Manuel Yanez Montero (contributor), Dennis Dougherty (contributor), Slawomir Grabowski (contributor)Hardback

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Description

The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.

Contents

Section 1: Theoretical Foundations of Intermolecular Interactions; Bonds and Intermolecular Interactions - The Return of Cohesion to Chemistry; Using Computational Quantum Chemistry as a Tool to Understand the Structure of Molecular Crystals and the Nature of their Intermolecular Interactions; Bonding in Organic Molecules and Condensed Phases. The Role of Repulsions; On Topological Atoms and Bonds; Quantitative Determination of the Nature of Intermolecular Bonds by EDA Analysis; Beyond QTAIM: NCI Indexes as a Tool to Reveal Intermolecular Bonds in Molecular Aggregates; Section 2: Spectroscopic and Database Information; Molecular Beam and Spectroscopic Techniques: Towards Fundamental Understanding of Intermolecular Interactions/Bonds; Solid-state NMR Techniques for the Study of Intermolecular Interactions; The Use of Databases in the Study of Intermolecular Interactions; Section 3: Isolated Intermolecular Interactions; Intermolecular Interactions in Crystals; The Nature of the Hydrogen Bond, from a Theoretical Perspective; The CH...p Hydrogen Bond; Hydrogen Bonds and Halogen Bonds - A Comparative Study; The Cation-p Interaction; Intramolecular Beryllium Bonds. Further Insights into Resonance Assistance Phenomena; On the Nature of Hydrogen-Hydrogen Bonding; Long, Multicenter Bonds in Radical Anion p-dimers; Section 4: Intermolecular Interactions in Crystals; Revealing the Intermolecular Bonds in Molecular Crystals Through Charge Density Methods; Noncovalent Interactions in Crystal Structures: Quantifying Cooperativity in Hydrogen and Halogen Bonds; Crystal Engineering: State of the Art and Open Challenges

Product Details

  • ISBN13: 9781782621737
  • Format: Hardback
  • Number Of Pages: 764
  • ID: 9781782621737
  • weight: 1326
  • ISBN10: 1782621733

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