A5038781936- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Crystallography and molecular interactions
- Magnetism in coordination complexes
- Covalent Organic Framework Applications
- Carbon dioxide utilization in catalysis
- Catalytic Processes in Materials Science
- Gas Sensing Nanomaterials and Sensors
- Chemical Synthesis and Reactions
- Organometallic Complex Synthesis and Catalysis
- Machine Learning in Materials Science
- Mathematical Biology Tumor Growth
- Metal complexes synthesis and properties
- Scientific Computing and Data Management
- Zeolite Catalysis and Synthesis
- Lanthanide and Transition Metal Complexes
- Synthesis and Reactions of Organic Compounds
- Liver Disease Diagnosis and Treatment
- Graph theory and applications
- Finite Group Theory Research
- Insect-Plant Interactions and Control
- Medical Imaging Techniques and Applications
- Crystal structures of chemical compounds
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Azienda Socio Sanitaria Territoriale Grande Ospedale Metropolitano Niguarda
2022-2025
University of Milan
2016-2025
National Interuniversity Consortium of Materials Science and Technology
2020-2025
University of Milano-Bicocca
2022-2024
Commonwealth Scientific and Industrial Research Organisation
2023-2024
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta"
2023
Mylan (Switzerland)
2019
Milano University Press
2019
Mylan (South Africa)
2017
University of California, Berkeley
2011-2013
Reactions between the tritopic pyrazole-based ligand 1,3,5-tris(1H-pyrazol-4-yl)benzene (H3BTP) and transition metal acetate salts in DMF afford microporous pyrazolate-bridged metal–organic frameworks of type M3(BTP)2·xsolvent (M = Ni (1), Cu, (2), Zn (3), Co (4)). Ab-initioX-ray powder diffraction methods were employed determining crystal structures these compounds, revealing 1 2 to exhibit an expanded sodalite-like framework with accessible cation sites, while 3 4 possess tetragonal...
Adsorptive separation of olefin/paraffin mixtures by porous solids can greatly reduce the energy consumption associated with currently employed cryogenic distillation technique. Here, complete propane and propylene a designer microporous metal-organic framework material is reported. The compound, Y6 (OH)8 (abtc)3 (H2 O)6 (DMA)2 (Y-abtc, abtc = 3,3',5,5'-azobenzene-tetracarboxylates; DMA dimethylammonium), rationally designed through topology-guided replacement inorganic building units....
Tunable hydrophobicity: Efficient air filters for the protection against chemical warfare agents might be achieved by surface functionalization of pores in robust metal–organic frameworks (MOFs) with fluoroalkyl residues and precise control their pore size (see picture). These MOFs capture harmful volatile organic compounds even under extremely moist conditions (80 % relative humidity). As a service to our authors readers, this journal provides supporting information supplied authors. Such...
Two isoreticular series of pyrazolate-based 3D open metal-organic frameworks, MBDP_X, adopting the NiBDP and ZnBDP structure types [H(2)BDP = 1,4-bis(1H-pyrazol-4-yl)benzene], were synthesized with new tagged organic linkers H(2)BDP_X (X -NO(2), -NH(2), -OH). All MBDP_X materials have been characterized through a combination techniques. IR spectroscopy proved effective presence tags, while X-ray powder diffraction (XRPD) witnessed their nature. Simultaneous TG/DSC analyses (STA) demonstrated...
Temperature matters! The separation efficiency of complex mixtures gases (acetylene, carbon dioxide, methane, nitrogen) and vapors (benzene, cyclohexane) by adsorption on A[Cu3(μ3-OH)(μ3-4-carboxypyrazolato)3] (A@1) metal–organic frameworks depends temperature the extraframework cation A (see picture). NH4@1 also behaves as an oxidation catalyst.
Two highly porous coordination polymers, containing rare octanuclear hydroxo-nickel clusters and long bis-pyrazolyl spacers, are shown to possess, after mild thermal treatment, lattice cavities up 72% of the total crystal volume.
Highly porous homoleptic Ni(bpb) and Zn(bpb) materials have been obtained by reaction of nickel(II) zinc(II) salts with the deprotonated form 1,4-(4-bispyrazolyl)benzene ligand (H2bpb). Ab-initio structure solution methods thermodiffractometry allowed determination their crystal structures, framework flexibility, thermal stability. The different stereochemical requirements Ni(II) Zn(II) ions induce, in Zn(bpb), rhombic square channels, respectively, accounting for 57 65% total cell volume....
In nature, nonheme iron enzymes use dioxygen to generate high-spin iron(IV)=O species for a variety of oxygenation reactions. Although synthetic chemists have long sought mimic this reactivity, the enzyme-like activation O2 form iron(IV) = O remains an unrealized goal. Here, we report metal-organic framework featuring iron(II) sites with local structure similar that in α-ketoglutarate-dependent dioxygenases. The reacts at low temperatures are characterized using situ diffuse reflectance...
Chemical warfare agents (CWAs) are regarded as a critical challenge in our society. Here, we use high-throughput computational screening strategy backed up by experimental validation to identify and synthesize promising porous material for CWA removal under humid conditions. Starting with database of 2,932 existing metal–organic framework (MOF) structures, selected those possessing cavities big enough adsorb well-known CWAs such sarin, soman, mustard gas well their nontoxic simulants. We...
The adsorptive properties of the isoreticular series [Ni 8 (OH) 4 (H 2 O) (BDP_X) 6 ] BDP_X = 1,4‐bis(pyrazol‐4‐yl)benzene‐4‐X with X H (1), OH (2), NH (3)) can be enhanced by postsynthetic treatment an excess KOH in ethanol. In case H, , this leads to partial removal organic linkers, deprotonation coordinated water molecules and introduction extraframework cations, giving rise materials K[Ni 5 (EtO)‐(H 5.5 (1@KOH, 3@KOH) formulation, which original framework topology is maintained. By...
The mechanisms of CO oxidation on the Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O high-entropy oxide were studied by means operando soft X-ray absorption spectroscopy. We found that Cu is active metal and Cu(II) can be rapidly reduced to Cu(I) when temperature higher than 130 °C. Co Ni do not have any role in this respect. state easily but slowly recovered treatment sample with O2 at ca. 250 However, it should noted CuO readily irreversibly treated T > 100 Thus, main conclusion work high configurational...
Iron-based enzymes efficiently activate molecular oxygen to perform the oxidation of methane methanol (MTM), a reaction central contemporary chemical industry. Conversely, very limited number artificial catalysts have been devised mimic this process. Herein, we employ MIL-100(Fe) metal-organic framework (MOF), material that exhibits isolated Fe sites, accomplish MTM conversion using O2 as oxidant under mild conditions. We apply diverse set advanced operando X-ray techniques unveil how can...
The use of metal–organic frameworks (MOFs) as precursors for the manufacture heterogeneous catalysts has gained a great deal attention over last decade. By subjecting given MOF to pyrolysis, electrochemical degradation, or other treatments under controlled atmosphere, (supported) metal (oxide) nanoparticles with very narrow size distributions can be obtained, opening door design more efficient catalytic solids. Here, we demonstrate benefits steam during decomposition two different structures...
Understanding adsorption processes at the molecular level, with multi-technique approaches, is nowadays frontier of porous materials research. In this work it shown that a proper data treatment, in situ high-resolution powder X-ray diffraction (HR-PXRD) variable temperature and gas pressure can reveal atomic details accommodation sites, framework dynamics as well thermodynamic information (isosteric heat adsorption) CO
Despite significant ongoing experimental and computational efforts, factors involved in the choice between homomolecular heteromolecular recognition remain elusive. Here, a large-database study of cohesive energy intermolecular noncovalent interactions (NCI) cocrystals from Cambridge Structural Database has been undertaken. Centrosymmetric space groups (especially P1̅) are largely more frequent than unary crystals, while frequency chiral is halved. Overall close-packing observed, but...
Abstract Within the material family of metal–organic frameworks (MOFs) subclass flexible MOFs (flexMOFs) has attracted great attention, showing structural flexibility as a response to external stimuli such guest adsorption, temperature, and pressure. Hybrid composites like nanoparticle (NP) loaded MOFs, which stand potentially combine advantageous properties both are yet largely unexplored. Here synthesis flexMOFs with surface mounted nanoparticles, e. g. NP@Zn 2 (BME‐bdc) dabco (NP = Pt SiO...
A combined soft X-ray absorption spectroscopy and molecular dynamics investigation of water adsorption by MOFs at the crystal surface.
A survey of crystal structures including two organic compounds unable to form hydrogen bonding has been carried out using the Cambridge Structural Database. Such systems are common and numerous. Association modes mostly include stacking flat systems, one them usually being an aromatic hydrocarbon. "Alternate-ladder" (AL) "slanted column" (SC) motifs occur most frequently; AL is somewhat prevalent in fluoroarene pyromellitic dianhydride cocrystals, whereas SC occurs preferentially, but not...
In this work, we apply for the first time ambient pressure operando soft X-ray absorption spectroscopy (XAS) to investigate location, structural properties, and reactivity of defective sites present in prototypical metal-organic framework HKUST-1. We obtained direct evidence that Cu+ form upon temperature treatment powdered HKUST-1 at 160 °C they are largely distributed on material surface. Further, a thorough characterization Cu+/Cu2+ dimeric complexes arising from temperature-induced...