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 syntheses and low-temperature (90 K) crystal structures of benzyl N′-[(E)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl N′-[(E)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate are presented.

https://journals.iucr.org/e/issues/2022/10/00/yk2176/yk2176.pdf

Syntheses and crystal structures of benzyl N′-[(E)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl N′-[(E)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate

The title compound, C22H15ClN2S, was prepared by the base-catalyzed reaction of 1-(4-chloro­benz­yl)indole-3-carboxaldehyde with thio­phene-3-acetonitrile and recrystallization of the product from methanol. The double bond connecting the indole and thio­phene units has Z geometry. The indole ring system is nearly planar and makes a dihedral angle of 79.81 (4)° with the plane of the 4-chloro­phenyl ring. The mol­ecule exhibits orientational disorder of the thienyl fragment, with occupancy factors of 0.65:0.35.

(Z)‐3‐[1‐(4‐Chlorobenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile

In the title mol­ecule, C16H14Cl4O, the dihedral angle between the least-square planes of the benzene rings is 84.40 (7)°. No unusual intermolecular interactions are present.

/pdf/2-2-5-6-tetra-chloro-4-1s-1-methyl-prop-oxy-biphen-yl-3k5m4184z0.pdf

2,2',5',6-Tetra-chloro-4-[(1S)-1-methyl-prop-oxy]biphen-yl.

The condensation of cyclopentadienyl-derived γ-diketones and arylhydrazines was utilized to synthesize 4-(1,4-diphenyl-2H-cyclopent[d]-pyridazin-2-yl)benzenesulfonamide and 4-(1,4-di-(4-methylphenyl)-2H-cyclopent[d]pyridazin-2-yl)benzenesulfonamide in better than 80% yield. The crystal structures of the precursor hydroxyfulvene, {(5Z)-5-[hydroxy(4-methylphenyl)-methylene]cyclopenta-1,3-dien-1-yl}(4-methylphenyl)methanone, and the derived pyridazine 4-(1,4-diphenyl-2H-cyclopent[d]pyridazin-2-yl)benzene-sulfonamide, were also obtained.

Synthesis of 4‐(1,4‐Diaryl‐2H‐cyclopent[d]pyridazin‐2‐yl)benzenesulfonamides.

Contorted polycyclic aromatic molecules, such as corannulenes and sumanenes, have been studied as host molecules for fullerenes due to their complementary geometries. It has been suggested that stronger associations with fullerenes can be attained by extending their π surface or by incorporating heteroatoms, as unsubstituted corannulene and sumanene do not readily complex with fullerenes in solution. Here, we design and synthesize π-extended buckybowls derived from contorted hexabenzocoronene and pentabenzocoronene with either pentyl or butoxy side chains. These coronene-based buckybowls have approximately twice the π surface compared to unsubstituted corannulene and sumanene. Buckybowls with pentyl side chains complex with C60 in a preferred 1:1 buckybowl-to-C60 stoichiometry, with association constants on the order of 103 M–1. Complexation with C60 further strengthens with the addition of heteroatoms in buckybowls bearing butoxy side chains. We find a preferred 1:2 association stoichiometry with fullerene and association constants on the order of 104 M–1. Density functional theory calculations suggest the larger dipole moment on the butoxy-substituted buckybowls relative to their pentyl-substituted counterparts is responsible. This greater dipole moment polarizes C60, leading to a preferred 1:2 stoichiometry and larger association constants in the complexation of buckybowls with butoxy side chains and C60. 

Sean Parkin

Papers

Syntheses and crystal structures of benzyl N′-[(E)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl N′-[(E)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate

(Z)‐3‐[1‐(4‐Chlorobenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile

2,2',5',6-Tetra-chloro-4-[(1S)-1-methyl-prop-oxy]biphen-yl.

Synthesis of 4‐(1,4‐Diaryl‐2H‐cyclopent[d]pyridazin‐2‐yl)benzenesulfonamides.

Impact of Molecular Geometry and Functionalization on Solution Complexation of Coronene-Based Buckybowls and Fullerenes