solid state chemistry; crystallography; density functional theory; chemical bonding; X-ray diffraction; high pressure; polymorphism
Scherer W., Dunbar A. C., Barquera-Lozada J. E., Schmitz D., Eickerling G., Kratzert D., Stalke D., Lanza A., Macchi P., Casati N., Ebad-Allah J., Kuntscher C. (2015), Anagostic Interactions under Pressure: Attractive or Repulsive?, in Angew. Chem.
, 54, 2505-2509.
Fisch Martin, Lanza Arianna, Macchi Piero, Casati Nicola (2015), Back to 1D Detectors: Benefits for High-Pressure Powder X-ray Diffraction, in Journal of Applied Crystallography
, 48, 1956-1963.
Fisch Martin, Lanza Arianna, Boldyreva Elena, Macchi Piero, Casati Nicola (2015), Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on L-Serine, in Journal of Physical Chemistry C
, 119, 18611-18617.
Zhao Pu, Bennet Thomas, Casati Nicola, Lampronti Giulio, Moggach Stephen, Redfern Simon (2015), Pressure-induced oversaturation and phase transition in zeolitic imidazolate frameworks with remarkable mechanical stability, in Dalton Transactions
, 44, 4498-4503.
Lanza Arianna, Germann Luzia, Fisch Martin, Casati Nicola, Macchi Piero (2015), Solid-state reversible nucleophilic addition in a highly flexible MOF, in Journal of the American Chemical Society
, 137, 13072-13078.
Macchi Piero, Casati Nicola, Evans Shaun Russell, Gozzo Fabia, Simoncic Petra, Tiana Davide (2014), "Off-axis" metal-metal bond in Mn2(CO)10 at high pressure, in Chemical Communiation
, 50, 12824 - 128247.
Casati Nicola, Jephcoat Andrew, Wilhelm Heribert, Macchi Piero (2014), Chemical reactivity at high pressure: the ordered polymerization of oxalic acid, in Acta Crystallographica Sect. A
, 70, C898.
Macchi Piero, Casati Nicola, Kleppe Annette, Jephcoat. Andrew (2014), Electron density of molecular crystals at high pressure from synchrotron data, in Acta Crystallographica Sect. A
, 70, C1340.
Lanza Arianna, Fiolka Christophe, Fisch Martin, Casati Nicola, Skoulatos Markos, Ruegg Christian, Krämer Karl, Macchi Piero (2014), New Magnetic Frameworks of [(CuF2(H2O)2)x(pyz)], in Chemical Communication
, 50, 14504-14507.
Seco José M., Fairen-Jimenez David, Calahorro Antonio J., Mendéz-Linan Laura, Pérez-Mendoza Manuel, Casati Nicola, Colacio Enrique, Rodrıguez-Diéguez Antonio (2013), Modular structure of a robust microporous MOF based on Cu 2 paddle-wheels with high CO 2 selectivity, in Chemical Communications
, 49, 11329.
This project is connected with a previous SNF funded project, focused on the structural characterization of organic and organometallic molecular crystals, compressed at high pressure. We investigate here intra- and inter-molecular interactions, modified by the external stress with the purpose to improve the knowledge of the chemical bonding and interactions. A central aspect of this project is the focus on a new and more ambitious aim: the characterization of pressure induced reactions, using the crystal structures at intermediate compression stages as a "tool" to visualize reaction pathways. The theoretical and experimental structural characterization of materials are used to investigate: a) the role of the most relevant intermolecular interactions (like hydrogen bonding) on the hardness of a material; b) the role of molecular and intermolecular interactions on specific electronic or optic properties of materials; c) the pressure induced nucleophilic/electrophilic reactions to polymers or oligomers.This project is carried out using crystal engineering for the preparation of the new materials, utilizing a range of investigative techniques, such as X-ray/neutron diffraction, IR and Raman spectroscopy, polarizing microscopy on single crystals and powders, compressed in high pressure cells. Moreover, theoretical calculations with density functional theory in the solid state are used to predict and rationalize the pressure induced structural transformations.The major expected outcome is the discovery and the characterization of new polymeric forms of simple organic molecules, with important implications for material science.