| 1. |
- Borel, Cédric, 1979, et al.
(författare)
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5,6-Dioxo-1,10-phenanthrolin-1-ium chloride
- 2008
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 64:1, s. O34-U2794
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Tidskriftsartikel (refereegranskat)
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| 2. |
- Borel, Cédric, 1979, et al.
(författare)
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catena-Poly[[bis(N,N'-dimethylformamide)cadmium(II)]-μ2-oxalato]
- 2008
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E64:1, s. m185-
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Tidskriftsartikel (refereegranskat)abstract
- The title compound, [Cd(C2O4)(C3H7NO)2]n, is isostructural with its MnII analogue. The structure comprises zigzag polymeric chains with the oxalate groups situated on inversion centres and the CdII atoms located on twofold rotation axes.The coordination geometry around CdII is distorted octahedral and the intrachain Cd...Cd distance is 5.842(1) Å. C—H...O hydrogen bonds exist between the parallel polymeric chains.
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| 3. |
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| 4. |
- Borel, Cédric, 1979, et al.
(författare)
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Family of Isoreticular Chiral Metal-Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
- 2010
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Ingår i: Crystal Growth & Design. - : American Chemical Society (ACS). - 1528-7483 .- 1528-7505. ; 10:4, s. 1971-1978
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Tidskriftsartikel (refereegranskat)abstract
- From the parent compound [Ca[Co(ethylenediamine)(oxalato)2]2]n . 4H2O, 1, a series of framework compounds was prepared via the soluble sodium salt and crystal growth with the divalent metal ions Cd2+, Mn2+, and Sr2+, (2-4). These compounds have the same general formula [M[Co(ethylenediamine)(oxalato)2]2]n . xH2O, and they all form the same four- and eight-connected 3D net having scu topology (and are thus isoreticular) with water filled channels of variable size running in one direction of the crystals. However, they crystallize in two different space groups, the chiral P21) (3, 4, and the low temperature form of 1) and the noncentrosymmetric P-4 (1 and 2). The potential voids upon water removal are 18-20% of the unit cell. Preliminary gas sorption measurements at 298 K and 8 bar show substantial CO2 and N2O uptake (12-14% and 15-16% by mass, respectively), while the H2 uptake was 0.18%, a relatively high value considering the low pressure and high temperature.
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| 5. |
- Borel, Cédric, 1979
(författare)
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Is building molecular solid-state structures as easy as playing with Lego?
- 2008
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Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Crystal engineering is a science dealing with molecular solid-state compounds. One major development in the last ten years has been the description of structures as if they were forming network. In this simplified approach to the structures where atoms, molecules, and molecular ions are replaced by a construction of edges and nodes forming a net. Some of these assemblies are made by combining organic ligands and metal ions, and they are sometimes referred to as Metal Organic frameworks (MOF).The interest in MOFs comes from the specific structure of some of them. They can have large void in the assembly and the cavities can be surrounded by different molecular functions, which are useful for some application, for example gas storage, such as hydrogen, or gas separation. For these reasons the interest in MOFs has increased during the last ten years.The thesis will first give some useful definitions for the project and then a description of different crystal structures and the elaboration of the frameworks associated to them. The compounds described are made from covalent bonds with the example of three different barium oxalates: (Ba(C2O4)·2H2O, Ba(C2O4)(H2C2O4)·2H2O, and Ba2(C2O4)(HC2O4)2·2H2O,), or by hydrogen bonds with cobalt biimidazole used as starting building block: [Co(H2biim)3](ox)2Cl2, [Co(H2biim)3][Co(ox)3]·H2O, [Co(H2biim)3][Cr(ox)3]·H2O , and [Co(C6H6N6)3][C4HO4]·2H2O, or a mix of covalent and hydrogen bonds in [Ca[Co(en)(oxalato)2]2]n, and finally a structure formed by weak hydrogen bonds ([C12H7N2O2]Cl).
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| 6. |
- Borel, Cédric, 1979
(författare)
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Metal Organic Frameworks: History, Synthesis, and Topological approach
- 2009
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- The storage, separation, purification and catalytic reactions of small molecules are important research domains in both pure and applied chemistry, where porous materials play a major role. Among the different possible options for the preparation porous materials a recent approach is to build structures based on metal ions, metal complexes, or metal clusters, bridged by organic ligands. Porous compounds constructed with such patterns are called Metal Organic Frameworks (MOF). However, this term stands not only for the composition of the material but also for the simplification and the topological analysis of such structures represented by 3D-nets. This topological description is an evolution of the Schläfli symbols used to describe regular polytopes. An important property of some MOF:s is that they can absorb and release hydrogen by a physisorption process. Unfortunately, not with standing that the results for absorption at low temperature (i.e. 78 K) are relatively good compared to other systems, at room temperature the amount of hydrogen that can be stored decreases dramatically. Concerning other small molecules, the MOF:s can be very selective; depending on the molecular function in the cavity and the size of the channels, that separation of two different gases such as carbon dioxide and methane can be obtained. More complicated molecules can also be stored or purified. These molecules can, for example, be pharmaceutical drugs where constant low concentration needs to be delivered over time, or the compound needs to be separated into its enantiomers. For both purposes, an adapted MOF can be used. This thesis will present the syntheses, structural characterisation and topological analysis of a number of coordination compounds, which form one-, two-, or three-dimensional systems. The compounds obtained are based on: (a) [M(CN)6]3- bridged by phenanthrolinum type cations, M=Co3+ (2) or Fe3+ (3); (b) [Co(H2biim)]3+ and different types of hydrogen bonded carboxylates (compounds 5-8); (c) oxalate coordination polymers, 1, and 9-11. Notably, in the case of 9 a new five-connected topology was discovered. A family of so-called scu-nets with general formula [MII[CoIII(ethylenediamine)(oxalato)2]2]n·xH2O are also presented, forming porous compounds by coordination and hydrogen bonds, 12-15. Theses materials have potential void volumes of 20%, and the 1D channels have a tunable diameter of 3.7- 4.1 Å. The cavities formed are suitable for small molecule storage, and in the case of the calcium compound 12, the hydrogen absorption measurement reveal a relatively high absorption at room temperature and a pressure of eight bars compared to other, previously described, materials.
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| 7. |
- Borel, Cédric, 1979, et al.
(författare)
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Network analysis of barium oxalates Ba(C2O4)m(HC2O4)n(H2C2O4)p(H2O)q, including the new, uniform, five-connected loh net
- 2009
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Ingår i: Inorganic Chemistry Communication. - : Elsevier BV. - 1387-7003. ; 12:2, s. 105-108
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Tidskriftsartikel (refereegranskat)abstract
- The structures of three compounds from the system Ba(C2O4)m(HC2O4)n(H2C2O4)p(H2O)q have been structurally reinvestigated by low-temperature X-ray diffraction. Ba(C2O4)(H2O)2, 1, Ba(C2O4)(H2C2O4)(H2O)2, 2, and Ba(C2O4)0.5(HC2O4)(H2O), 3. The compounds are composed of three-dimensional coordination network structures with bridging oxalates and water molecules. Compound 1 is binodal, four and five connected with topology (4462)(4466)-tcs; 2 contains the common 66-dia net and 3 displays the new uniform network topology 610-loh. Together with the recently reported 610-ghw and 610-rld-z nets, and the 610-fnu net, the loh net forms a subclass of five-connected 610-nets based on the distorted trigonal bipyramidal coordination.
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| 8. |
- Borel, Cédric, 1979, et al.
(författare)
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Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on Co(H(2)biimidazole)(3) (3+)
- 2009
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Ingår i: Crystal Growth & Design. - : American Chemical Society (ACS). - 1528-7505 .- 1528-7483. ; 9:6, s. 2821-2827
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Tidskriftsartikel (refereegranskat)abstract
- The utility of R-2(2)(9) biimidazole-carboxylate, R-2(2)(10) biimidazole-oxalate/squarate and R-2(2) (9) biimidazole-(tris-oxalate) synthons is considered for crystal engineering of hydrogen-bonded networks based on [Co-III(H(2)biim)(3)](3+) cations (H(2)biim = 2,2-biimidazole) and oxalate, squarate or [M-III(C2O4)(3-) anions. Syntheses and crystal structures are described for [Co-III(H(2)biim)(3)](3-) [M-III(C2O4)(3)]center dot 2H(2)O (M = Cr, 1; M = Co, 2), [Co-III(H(2)biim)(3)](HC4O4)(3)center dot 2H(2)O, 3, and [Co-III(H(2)biim)(3)](C2O4)Cl center dot 5.5H(2)O, 4. Compounds 1 and 2 are isostructural and comprise [Co(H(2)biim)(3)](3+) cations bridged by [M(oxalate)(3)](3-) anions in two directions and water molecules in the third direction to give a 3D H-bonded network. Both outer and inner 0 atoms of the coordinated oxalate ions act as H-bond acceptors, forming motifs closely related to the anticipated R-2(2)(9) biimidazole-(tris-oxalate) synthon. Compound 3 contains a more complex H-bond pattern in 3D, built from the intended R-2(2)(10) biimidazole-squarate synthon and additional H-bonds between protonated squarate molecules and water molecules. The structure of compound 4 (obtained with synchrotron radiation) contains layers in which stacked pairs of oxalate anions bridge between [Co-III(H(2)biim)(3)](3+) cations to form a dense 2D kgd-net, separated by layers of disordered chloride anions and H-bonded water molecules.
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