Crystalline metal-organic frameworks (MOFs) are formed by reticular synthesis, which creates strong bonds between inorganic and organic units. Careful selection of MOF constituents can yield crystals of ultrahigh porosity and high thermal and chemical stability. These characteristics allow the interior of MOFs to be chemically altered for use in gas separation, gas storage, and catalysis, among other applications. The precision commonly exercised in their chemical modification and the ability to expand their metrics without changing the underlying topology have not been achieved with other solids. MOFs whose chemical composition and shape of building units can be multiply varied within a particular structure already exist and may lead to materials that offer a synergistic combination of properties.

The Chemistry and Applications of Metal-Organic Frameworks

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

J. Appl. Cryst.の発刊に際して

1. INTRODUCTION Among the classes of highly porous materials, metalÀorganic frameworks (MOFs) are unparalleled in their degree of tunability and structural diversity as well as their range of chemical and physical properties. MOFs are extended crystalline structures wherein metal cations or clusters of cations (\" nodes \") are connected by multitopic organic \" strut \" or \" linker \" ions or molecules. The variety of metal ions, organic linkers, and structural motifs affords an essentially infinite number of possible combinations. 1 Furthermore, the possibility for postsynthetic modification adds an additional dimension to the synthetic variability. 2 Coupled with the growing library of experimentally determined structures, the potential to computationally predict, with good accuracy, affinities of guests for host frameworks points to the prospect of routinely predesigning frameworks to deliver desired properties. 3,4 MOFs are often compared to zeolites for their large internal surface areas, extensive porosity, and high degree of crystallinity. Correspondingly, MOFs and zeolites have been utilized for many of the same applications

Metal–Organic Framework Materials as Chemical Sensors

Metal–Organic Frameworks for Separations

The crystal structure of 5-fluoro-1-octanoyl­uracil [5-fluoro-1-octanoyl­pyrimidine-2,4(1H,3H)-dione, C12H17FN2O3], a lipophilic prodrug of 5-fluoro­uracil, is described. The 5-fluoro­pyrimidine-2,4(1H,3H)-dione moiety is similar to the known structure of 1-acetyl-5-fluoro­uracil. The 1-octanoyl group and the 5-fluoro­uracil moiety are essentially coplanar, with the octanoyl carbonyl group oriented towards the the ring C—H group and away from the nearer ring carbonyl group. The torsion angle C—N—C—O (from the ring CH group to the octanoyl carbonyl group) of 9.2 (2)° is similar to the corresponding torsion angles reported for 1-acetyl-5-fluoro­uracil (17.3 and 1.6°) and 1,3-di­acetyl-5-fluoro­uracil (8.8°).

5-Fluoro-1-octanoyl­uracil

The title compound, C17H27NO3·0.08H2O {sytematic name: (3R,3aS,9R,9aS,9bS)-3-[(di­methyl­amino)­meth­yl]-9-hy­droxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octa­hydro­azuleno[4,5-b]furan-2(9bH)-one 0.08-hydrate}, exhibits intra­molecular O—H⋯O hydrogen bonding to form a ring of graph-set motif S(6). As well as this intra­molecular hydrogen bond with the lactone-ring O atom, the hy­droxy H atom forms an O—H⋯O hydrogen bond to the low-occupancy partial water mol­ecule [occupancy = 0.078 (2)]. The water mol­ecule is correlated with disorder of the N(CH3)2 group [major–minor occupancy factors are 0.922 (2):0.078 (2)]. The dihedral angle between the mean planes of the trans-fused seven-membered ring and the lactone ring is 4.42 (9)°.

https://journals.iucr.org/e/issues/2013/12/00/sj5365/sj5365.pdf

13-(N,N-Di­methyl­amino)­micheliolide 0.08-hydrate

In the crystal of the title compound, C12H8N2O4S, mol­ecules are linked into chains by a series of inter­molecular O—H⋯O, N—H⋯O and N—H⋯N hydrogen bonds. The ninhydrin and amino­thia­zolidine units make a dihedral angle of 66.41 (3)°. The crystal structure indicates the presence of equimolar R and S enanti­omers in the crystal lattice, due to the presence of a chiral centre in the title compound.

https://journals.iucr.org/e/issues/2009/08/00/hg2529/hg2529.pdf

rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

In the title compound, C22H20N+·I−, the dihedral angles between the central pyridine ring and two outer benzene rings are 15.30 (10) and 11.82 (11)°. There are inter­molecular π–π stacking inter­actions between the nearest phenyl ring over an inversion-related pyridyl ring, the shortest centroid–centroid distance being 3.672 (3) A. The crystal structure of the compound indicates the 2,6-distyryl substituents have an E configuration.

https://journals.iucr.org/e/issues/2010/07/00/nk2028/nk2028.pdf

(E,E)-1-Methyl-2,6-distyrylpyridinium iodide

Various Salen ligands (Salen(tBu)H2=N, N′-ethylenebis(3,5-di-tertbutyl(2-hydroxy)benzylidenimine) were used to prepare borosilyl and μ-O bridged borosilyl compounds having the formula, L{B(OSiMe3)2}2 (L=Salen(tBu) (1), Salpen(tBu) (2), Salben(tBu) (3), Salhen(tBu) (4) and L(BOSiMe3)2(μ-O) (L=Salen(tBu) (5) and Salben(tBu) (6)). In the case of 5 and 6 the formation of the B–O–B linkage takes precedence over the formation of a B–O–Si linkage. All of the compounds were characterized by Mp, elemental analysis, 1H and 11B NMR, IR, MS and in the case of 1, 2, and6 by X-ray crystallography.

Sean Parkin

Papers

5-Fluoro-1-octanoyluracil

13-(N,N-Dimethylamino)micheliolide 0.08-hydrate

rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

(E,E)-1-Methyl-2,6-distyrylpyridinium iodide

Salen Supported Molecular Borosilicates

Sean Parkin

Papers

5-Fluoro-1-octanoyl­uracil

13-(N,N-Di­methyl­amino)­micheliolide 0.08-hydrate

rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

(E,E)-1-Methyl-2,6-distyrylpyridinium iodide

Salen Supported Molecular Borosilicates

5-Fluoro-1-octanoyluracil

13-(N,N-Dimethylamino)micheliolide 0.08-hydrate