Intermolecular Interactions in Crystals (eBook)

Fundamentals of Crystal Engineering

Spain) Novoa Juan J (University of Barcelona (Herausgeber)

eBook Download: EPUB

2017
764 Seiten
Royal Society of Chemistry (Verlag)
978-1-78801-333-8 (ISBN)

Infos

This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.

Inhalt

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

Produkt-Details

• Erscheint lt. Verlag: 25.10.2017
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Geowissenschaften ► Mineralogie / Paläontologie
• Themenwelt: Technik ► Maschinenbau
• Schlagworte: Alessia • Angel • Angelo • Arunan • Bacchi • Braga • Carlo • Cherif • contreras • Crystal • crystals • Dario • Dennis • Dougherty • Elangannan • Engineering • fundamentals • Garcia • Gatti • Gavezzotti • Gilli • Gobetto • Grabowski • Hobza • Interactions • intermolecular • Joel • Juan • Julia • Korter • Manuel • matta • Metrangolo • Miller • Montero • Motohiro • Nisho • Novoa • Paola • Paul • Pavel • Pendas • Peter • Pierangel • Politzer • Popelier • Roberto • Sason • Scheiner • Shaik • Slawomir • Steve • Timothy • Yanez
• ISBN-10: 1-78801-333-6 / 1788013336
• ISBN-13: 978-1-78801-333-8 / 9781788013338