Learning objectives
Description of the main intermolecular interactions responsible for crystal structural organization. Introduction to the model of supramolecular synthons. Classification and exemplification of common structural patterns and stereochemical requirements for designing solid state organic/inorganic hybrid compounds. Use of the Cambridge Structural Database for structure analysis. Use of single crystal structure determination by X-ray diffraction.
Prerequisites
Basic knowledge of solid state chemistry.
Course unit content
Nature of intermolecular interactions. Close packing principle and symmetry for molecular crystals. Kitaigorodski's aufbau principle for rationalizing structural patterns. Analysis of the main intermolecular interactions responsible for structural organization: electrostatic interactions, conventional hydrogen bond, weak hydrogen bond, p-p interactions, metallophylic interactions, halogen-halogen interactions, aromatic interdigitation. Definition of supramolecular synthons. Classification and exemplification of common structural patterns for solid state organic/inorganic hybrid compounds: networks of hydrogen bond assembled coordination compounds, diamondoid networks, inorganic helices, coordination polymers, porous networks. Phenomenum of interpenetration. Illustration of stereochemical requirements for designing supramolecular coordination compounds as polyhedral aggregates, monodimensional, bidimensional, and tridimensional polymers. Exercitations: analysis of structural patterns by using the Cambridge Crystallographic Database software. Single crystal structure determination by X-ray diffraction.
Bibliography
Crystal Engineering: A Textbook
Gautam R. Desiraju, Jagadese J. Vittal, Arunachalam Ramanan, World Scientific Publishing Co Pte Ltd ( 2011)
Teaching methods
Lectures, exercises on databases
