Intermolecular Interactions in Crystals (eBook)

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