Papers by Davide proserpio
Journal of Materials Chemistry, 1997
... Structural studies of molecular-based nanoporous materials. Novelnetworks of silver(I) cation... more ... Structural studies of molecular-based nanoporous materials. Novelnetworks of silver(I) cations assembled with the polydentateN-donor bases hexamethylenetet ramine and 1,3,5-triazine. Marco Bertelli, Lucia Carlucci, Gianfranco ...
Crystal Growth & Design, 2008
... F. Gándara , A. de Andrés , B. Gómez ... Instituto de Ciencia de Materiales de Madrid, Co... more ... F. Gándara , A. de Andrés , B. Gómez ... Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, Madrid, Spain, and Dipartimento di Chimica Strutturale e Stereochimica Inorganica, Università di Milano, Milano, Italy. Cryst. Growth Des. ...
Chemistry of Materials, 2009
By adjusting the solvothermal synthesis conditions, two ytterbium catalytically active MOF (metal... more By adjusting the solvothermal synthesis conditions, two ytterbium catalytically active MOF (metal organic framework) materials aimed at two different heterogeneous processes have been obtained as pure phases. Yb-LRH belongs to the first family of layered rare-earth hydroxides (LRH). With a 2D structure, highly related to that of the layered doubles hydroxides, Yb-LRHs have cationic inorganic layers with formula [Yb 4 (OH) 10 (H 2 O) 4 ] n 2+ and is a very active and selective catalyst in the sulfide oxidation reaction. The second, Yb-RPF-5, is a 3D rare-earth polymeric framework material, with formula [Yb(OH)(2,6-AQDS)(H 2 O)] (AQDS ) anthraquinone-2,6-disulfonate). With lower coordination for the Yb atom and additional acidity from the coordinated ligands, it acts as a good catalyst in hydrodesulfurization (HDS) reactions. Both materials are bifunctional catalysts in redox and acid processes. Structural features of the materials, as well as their catalytic activity and topology, have been studied.
Chemistry of Materials, 2001
A nonstoichiometric ternary vanadium sulfide, BaVS (x = 0.41-0.48), was synthesized. This solid-s... more A nonstoichiometric ternary vanadium sulfide, BaVS (x = 0.41-0.48), was synthesized. This solid-state compound crystallizes in the hexagonal space group P6/m (no. 176) with a = 9.2080(3) Angstroms, c = 3.3169(2) Angstroms, V = 243.55(2) Angstroms³, and Z = 1. The structure of this solid is similar to that of its parent compound VS, consisting of face-sharing, distorted octahedral VS
Journal of Fluorine Chemistry, 2010
The formation of two organic interpenetrated networks on halogen bonding driven self-assembly of ... more The formation of two organic interpenetrated networks on halogen bonding driven self-assembly of diiodoperfluorarenes with tetrapyridyl tectons is described. Both architectures exhibit two-dimensional square 44 networks; with either a 2-fold interpenetration of class IIa or a 3-fold interpenetration of class Ia. Diiodoperfluoroarenes are proven robust tectons in the design of interpenetrated networks based on the expansion strategy.
Crystal Growth & Design, 2014
ABSTRACT Basic concepts of computer topological analysis of crystal structures realized in the cu... more ABSTRACT Basic concepts of computer topological analysis of crystal structures realized in the current version of the program package ToposPro are considered. Applications of the ToposPro methods to various classes of chemical compounds—coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials—are illustrated by many examples. It is shown that chemically and crystallographically different structures can be automatically treated in a similar way with the ToposPro approaches.
Chemistry of Materials, 1997
ABSTRACT
Coordination Chemistry Reviews, 2003
Coordination Chemistry Reviews, 2012
Chemistry-a European Journal, 1999
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Journal of the Chemical Society, Chemical Communications, 1994
Three novel coordination polymers, [Ag(N-N),]X (N-N = 4,4'-bipyridyl, X = CF3S03-1; N-N = 4-cyano... more Three novel coordination polymers, [Ag(N-N),]X (N-N = 4,4'-bipyridyl, X = CF3S03-1; N-N = 4-cyanopyridinef X = BF4--, in two polymorphs, 2 and 3)], are prepared and investigated by single crystal X-ray analysis; 1 and 2 contain three-dimensional cationic frameworks, both consisting of four equivalent interpenetrating diamondoid lattices, while3 is formed by two-dimensional layers of distorted squares.
The Journal of Physical Chemistry, 1995
ABSTRACT The energetics and electronic behavior of SiO2 . BeF2, based on interpenetrating diamond... more ABSTRACT The energetics and electronic behavior of SiO2 . BeF2, based on interpenetrating diamondoid nets and recently proposed as a possible hard material, have been studied with ab initio periodic LCAO Hartree-Fock methods. The composite compound turns out to be unstable with respect to the precursors SiO2 and BeF2. The origin of the instability has been analyzed with the aid of crystal orbital displacement (COD) plots. A bulk modulus close to the sum of those of the two precursors is calculated for SiO2 . BeF2. The additivity of the bulk moduli of subnets suggests that hard precursors should be required to obtain superhard materials.
Nature Chemistry, 2010
a, The Hopf link (left) is the basic unit of inextricable entanglement. Multiple Hopf links (righ... more a, The Hopf link (left) is the basic unit of inextricable entanglement. Multiple Hopf links (right) result in an [n]-catenane and an increase in dimensionality. b, Polycatenation of 0D cages results in a 3D octahedral array of cages. In the final structure, two of these octahedral ...
Journal of the American Chemical Society, 1998
The accurate experimental electron density of crystalline bis (5-cyclooctadiene) nickel, Ni (COD)... more The accurate experimental electron density of crystalline bis (5-cyclooctadiene) nickel, Ni (COD) 2, has been determined by X-ray diffraction (T= 125 K, 17 051 reflections measured for 2θ≤ 96°) and it has been interpreted in terms of quantum theory of atoms in molecules ...
Journal of the American Chemical Society, 1995
... The First Example of Three Interpenetrating 3-Dimensional Triconnected Nets Lucia Carlucci, G... more ... The First Example of Three Interpenetrating 3-Dimensional Triconnected Nets Lucia Carlucci, Gianfranco Ciani,* Davide M. Proserpio, and Angelo Sironi ... Chem. 1986, 25, 103. (3) (a) Blake, A. B.; Hatfield, WE J. Chem. Soc., Dalton Trans. 1978, 868 and references therein. ...
Journal of the American Chemical Society, 1998
The accurate experimental electron density distribution of Co2 (CO) 6 (AsPh3) 2 has been determin... more The accurate experimental electron density distribution of Co2 (CO) 6 (AsPh3) 2 has been determined through X-ray diffraction at T= 123 K. Metal-metal and metal-ligand bonds have been investigated by means of deformation densities and the quantum theory of atoms in ...
Journal of Solid State Chemistry, 2005
An account is given of various classifications of three-periodic nets. It is convenient to classi... more An account is given of various classifications of three-periodic nets. It is convenient to classify nets according to the nature of their maximum-symmetry embeddings. Other classifications, particularly in terms of the tilings that carry the nets, are also discussed. Although there is an infinity of possible nets, for certain types the number of possibilities is limited-there are for example exactly five regular nets. An account is given of the enumerations of various types of special structures such as sphere packings, the nets of simple tilings and self-dual tilings. Some databases of relevant structures and computer programs are described. r
Inorganic Chemistry, 2013
Using the TOPOS program package, 26-atom nanoclusters of the γ-brass (Cu 5 Zn 8 ) type (0@4@22 or... more Using the TOPOS program package, 26-atom nanoclusters of the γ-brass (Cu 5 Zn 8 ) type (0@4@22 or 0@ 8@18) were found in 5918 crystal structures of cubic intermetallics. The nanocluster models were built for all the intermetallics using a recently developed algorithm implemented into TOPOS. The relations of the structures based on the 0@4@22 core are explored as a result of migration of atoms between different shells of the nanoclusters. It is shown that the 0@4@22 nanoclusters frequently occur as building units of intermetallics of different composition and structure type. Regularities in chemical composition of 702 γ-brass-type nanoclusters were found within both the nanoclusters approach (multishell structure) and the nested-polyhedra model. A database containing all topological types of γ-brass nanoclusters is created with which one can search for the corresponding atomic configuration in any intermetallics.
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Papers by Davide proserpio