Themed collection Articles behind the 2024 journal covers
Dynamic metal–ligand bonds in MFM-300: the use of semi-open metal sites to “teach an old dog new tricks”
This highlight aims to showcase the current advances in semi-open metal sites inherent to MFM-300(Sc) and MFM-300(In) to inspire new investigations to be carried out to develop new applications of this promising family of MOF materials.
CrystEngComm, 2024,26, 6100-6107
https://doi.org/10.1039/D4CE00865K
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
Fluorination of azopyridines regulates supramolecular bonding competition between [B ← N] adduct and co-crystal formation with phenylboronic acid catechol ester.
CrystEngComm, 2024,26, 4017-4021
https://doi.org/10.1039/D4CE00611A
Rapid growth of SiC single crystals using CVD-SiC block sources via a sublimation method
Via the PVT method adopting crushed CVD-SiC block sources, single crystalline SiC was grown with a high growth rate of 1.46 mm h−1 and good crystal quality.
CrystEngComm, 2024,26, 3158-3161
https://doi.org/10.1039/D4CE00268G
Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(II) complex
A perfluorinated Ni(II) complex encapsulates MeOH, forming unique tetrameric clusters stabilized by hydrogen bonding in the crystal to achieve remarkable uptake of MeOH over EtOH and water, demonstrating potential for separation and sensing.
CrystEngComm, 2024,26, 3014-3020
https://doi.org/10.1039/D4CE00166D
Multimode crawling motions of azobenzene crystal induced by light intensities for application as a shape-changeable microcleaner
Photoinduced crawling crystals can change their shape and velocity in response to irradiation intensity. By utilizing a sequence of different irradiation conditions, these changes can be used to improve cargo transport functionality.
CrystEngComm, 2024,26, 6274-6281
https://doi.org/10.1039/D4CE00827H
Self-powered solar-blind photodetectors based on AlN/a-Ga2O3 heterojunctions with a nanocolumnar structure on various substrates
The AlN/a-Ga2O3 detector with a nanocolumnar structure shows an extremely low dark current of 3.79 fA, a responsivity of 9.17 × 10−3 A W−1 and a response time of 15 ms/0.17 ms@0 V illuminated with 254 nm UV light.
CrystEngComm, 2024,26, 6017-6024
https://doi.org/10.1039/D4CE00826J
LaMer-model-based synthesis method for fine particles of octacalcium phosphate and related functional compounds
We developed a new precipitation method based on the LaMer model for synthesising fine particles of plain octacalcium phosphate (OCP) and OCP with incorporated carboxylate ions.
CrystEngComm, 2024,26, 6008-6016
https://doi.org/10.1039/D4CE00663A
Single-step synthesis of multicomponent cocrystals and salts: the role of laboratory seeding
Single-step and multi-step liquid-assisted grinding mechanochemical methods of molecular components to ternary and quaternary cocrystals/salts are compared to show speed and scalability of the single-step method.
CrystEngComm, 2024,26, 5699-5715
https://doi.org/10.1039/D4CE00551A
Crystalline thiacalixarene assembly for adsorption ability toward linear and branched C6 alkane vapor isomers
A nonporous adaptive crystal constructed from thiacalix[4]arene molecules adsorbs di-branched C6 alkanes preferentially over mono-branched and linear C6 alkanes.
CrystEngComm, 2024,26, 5525-5530
https://doi.org/10.1039/D4CE00696H
Effect of grain boundary doping/segregation on the mechanical behavior of Ta bicrystal
The introduction of foreign atoms significantly alters the grain boundary (GB) behavior in materials, consequently affecting their mechanical properties.
CrystEngComm, 2024,26, 5324-5336
https://doi.org/10.1039/D4CE00603H
Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host
Herein we report the influence of the crystallization solvent in the supramolecular self-assembly in the solid-state of an A1/A2-difunctionlized pillar[5]arene host.
CrystEngComm, 2024,26, 5138-5143
https://doi.org/10.1039/D4CE00771A
Dynamics analysis of twin formation for InP and preparation of 6 inch InP single crystals
Twin-free InP crystals can be grown under suitable growth conditions. A kinetic model for twin nucleation is proposed.
CrystEngComm, 2024,26, 4964-4974
https://doi.org/10.1039/D4CE00600C
Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)
35Cl (I = 3/2) solid-state NMR data is used in a nascent quadrupolar NMR crystallographic protocol, dubbed QNMRX-CSP, for the structural prediction, refinement, and validation of organic HCl salts.
CrystEngComm, 2024,26, 4782-4803
https://doi.org/10.1039/D3CE01306E
A score and nine years of irbesartan
Irbesartan exists as tautomers A and B in diverse solvent mixtures. Homogeneous nucleation gives (pseudo)polymorphs with layer-wise or columnar growth. The desmotropes present different habits, thermal expansions, stabilities and phase transitions.
CrystEngComm, 2024,26, 4566-4578
https://doi.org/10.1039/D3CE01172K
Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
This study explores the complexation behaviour of N7-alkylated 6-chloropurine derivatives with Zn(II), Cd(II), and Hg(II) ions. Predictable coordination preferences of metal towards the purine derivative are observed.
CrystEngComm, 2024,26, 4418-4430
https://doi.org/10.1039/D4CE00341A
Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
Water-mediated hydrogen-bonded structures were built from a disubstituted adamantane with dimethoxyphenol moieties, where halobenzenes were accommodated within the cavity of cyclic dimers composed of host compounds and waters.
CrystEngComm, 2024,26, 4272-4277
https://doi.org/10.1039/D4CE00616J
Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core
An effective, simple and convenient approach based on the interaction of tridentate triol-containing ligands and small Co(II) isobutyrates enables the preparation of Co16-based nanoclusters with a previously unknown mixed-valence {CoIII2CoII14} core.
CrystEngComm, 2024,26, 4264-4271
https://doi.org/10.1039/D4CE00637B
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
Novel halogen-bonded cocrystals of seven oxazoles as multifunctional acceptors have been synthesized with selected iodoperfluorinated benzenes and structurally characterized.
CrystEngComm, 2024,26, 4137-4145
https://doi.org/10.1039/D4CE00557K
Investigation of the photothermal weak absorption and laser damage characteristics of a Nd,Y:SrF2 crystal
The exponential-Chapman quantitative relationship is established between photothermal weak absorption and laser damage characteristics induced by surface defects in Nd,Y:SrF2 crystals.
CrystEngComm, 2024,26, 4130-4136
https://doi.org/10.1039/D4CE00340C
Effect of supersaturation on structural stress of rapidly growing KDP crystals studied by wide-angle conoscopic interference
Photoelastic effect was applied to analyze the relationship between fringe spacing in wide-angle conoscopic interference and structural stress of KDP crystals.
CrystEngComm, 2024,26, 4022-4030
https://doi.org/10.1039/D4CE00492B
Study on defects during Fe3+ doping and annealing in ADP crystals
This study systematically analyzed the effects of Fe3+ ion doping and annealing treatment on the properties of ammonium dihydrogen phosphate (ADP) crystals.
CrystEngComm, 2024,26, 3897-3910
https://doi.org/10.1039/D4CE00416G
Adsorption of 5-fluorouracil, an anticancer drug, in faujasite-type zeolites: understanding storage and release with density functional theory calculations
The adsorption of 5-fluorouracil (5-FU) in zeolites is investigated with dispersion-corrected DFT calculations, with emphasis on the stabilising role of “multi-site” interactions and the behaviour of adsorbed 5-FU in the presence of water.
CrystEngComm, 2024,26, 3795-3807
https://doi.org/10.1039/D4CE00344F
Photon upconversion of Nd3+–Yb3+–Tb3+ doped core–shell–shell–shell nanoparticles
The NaYF4:Yb migration layer minimized the cross-relaxation. Excited energy absorbed by Nd3+ could sensitize the co-doped Yb3+ and activated Tb3+ though energy migration among Yb3+, thereby achieving luminescence of Tb3+.
CrystEngComm, 2024,26, 3603-3608
https://doi.org/10.1039/D4CE00373J
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
The crystal structure and phase transition behaviour of dabcoHBr, which has a one-dimensional hydrogen-bonded chain structure, were investigated by mixing Cl− or I−.
CrystEngComm, 2024,26, 3468-3474
https://doi.org/10.1039/D4CE00310A
AlN interlayer-induced reduction of dislocation density in the AlGaN epilayer
The ultrawide-bandgap AlGaN alloy system shows great potential for advancing the next generation of UV optoelectronic devices.
CrystEngComm, 2024,26, 3475-3482
https://doi.org/10.1039/D4CE00191E
NMR-guided refinement of crystal structures using 15N chemical shift tensors
An NMR-guided procedure for refining crystal structures has recently been introduced and shown to produce unusually high resolution structures.
CrystEngComm, 2024,26, 3289-3302
https://doi.org/10.1039/D4CE00237G
Dual modifications of sensitizers and lanthanide ions on a two-dimensional zirconium-based metal–organic framework for photoluminescent detection
Luminescent 2D Zr-based MOFs for sensing Fe(III) ions were synthesized by dual post-synthetic modifications of photosensitizing ligands and terbium ions.
CrystEngComm, 2024,26, 2852-2861
https://doi.org/10.1039/D4CE00266K
Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(II) and Ni(II) pristine coordination polymers
Pristine multifunctional amide-based bimetallic Co–Ni coordination polymer and monometallic counterparts as efficient electrocatalysts for the oxygen evolution reaction.
CrystEngComm, 2024,26, 2755-2764
https://doi.org/10.1039/D4CE00179F
Nitro group and K+-based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors
Two dinuclear dianionic helicates, K2[MII2(L)3] M = MnII (1) and NiII (2), based on 2-hydroxy-5-nitrobenzaldehyde, self-assemble into novel 3D coordination polymers due to nitro groups acting as secondary assembly instruction.
CrystEngComm, 2024,26, 2346-2352
https://doi.org/10.1039/D4CE00255E
Assessing aspects of solution-based chemical synthesis to convert waste Si solar cells into nanostructured aluminosilicate crystals
An affordable, scalable, and easily adoptable solution-based processing route provides a potential way of converting waste Si solar cells into aluminosilicate minerals to contribute to sustainability in the solar energy value chain.
CrystEngComm, 2024,26, 2233-2240
https://doi.org/10.1039/D4CE00038B
Pure organic TPB single crystal for direct X-ray detection
High-quality TPB single crystals were obtained without obvious step-like growth morphology. The TPB devices could present α-particle and γ-ray spectral responses with high energy resolution, showing potential for direct radiation detection.
CrystEngComm, 2024,26, 2241-2247
https://doi.org/10.1039/D4CE00200H
Bilirubin and its crystal forms
Bilirubin crystals in the gall bladder and urine are typical indicators of liver dysfunction. Examining the crystal structure of lipophilic bilirubin is thus of interest. We present crystal structures for three crystal forms of the bile pigment.
CrystEngComm, 2024,26, 2136-2142
https://doi.org/10.1039/D4CE00123K
Coral-mimetic production of aragonite films from CO2 captured by biogenic polyamines
We designed CaCO3 films comprised of aragonite nanorods by mimicking the microstructure and the formation process of the calcareous skeleton of a stony coral in the sea.
CrystEngComm, 2024,26, 2065-2071
https://doi.org/10.1039/D4CE00126E
Rock-salt Ti1−xO → rutile TiO2−x transformation twinning via pulsed laser deposition – implications for the dense (hkl)-specific phase change and optoelectronic properties
The R + r intimate intergrowth was found to form a butterfly twin following the optimum crystallographic orientation relationship [101]R//[11]r by the close-packed (11)R and (011)r planes as the twin boundary and phase interface, respectively.
CrystEngComm, 2024,26, 1926-1939
https://doi.org/10.1039/D3CE01091K
Universality in interior periodic assembly of banded D-(−)-poly(3-hydroxybutyrate) justified with the iridescence test
Periodic assembly in poly(3-hydroxybutyrate) crystallized at selected Tc is analyzed with microscopy 3D interior dissection. Orderly grating-arrayed lamellae in PHB display light-interfering iridescence, resembling nature's structured coloration seen in inorganic minerals or organic species.
CrystEngComm, 2024,26, 1209-1218
https://doi.org/10.1039/D3CE01241G
Construction and catalytic effects of solvent- and metal(II)-dependent products: the process of transformation of 0D structures into 3D structures
The dimensions of M(II) complexes are dependent on the solvents or metals(II) employed, and a transformation of the cage into 3D occurs. Zn(II) and Cu(II) species are effective catalysts in transesterification and catechol oxidation, respectively.
CrystEngComm, 2024,26, 918-925
https://doi.org/10.1039/D3CE01298K
Project M: investigating the effect of additives on calcium carbonate crystallisation through a school citizen science program
Crystallisation pathways of calcium carbonate are strongly influenced by the presence of additives. Through X-ray diffraction, samples made by the Project M Scientists reveal the effect of amino acid and related additives on the crystal structures of calcite and vaterite.
CrystEngComm, 2024,26, 753-763
https://doi.org/10.1039/D3CE01173A
Effect of grain coalescence on dislocation and stress in GaN films grown on nanoscale patterned sapphire substrates
The effect of grain coalescence on the dislocation and stress in GaN films grown on nanoscale patterned sapphire substrates with low-temperature grown GaN and physical vapour deposition AlN nucleation layers is comparably investigated.
CrystEngComm, 2024,26, 620-630
https://doi.org/10.1039/D3CE00987D
Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks
Crystal packing of several halogenated alanine derivatives was investigated using the combined analysis of short atom–atom contacts and energy framework patterns.
CrystEngComm, 2024,26, 604-619
https://doi.org/10.1039/D3CE01029E
Cd(II) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties
Reactions of a C3-symmetrical ligand and Cd(II) salts with various polycarboxylic acids afforded three new coordination polymers, demonstrating that the length and shape of the polycarboxylate ligands govern the structural diversity.
CrystEngComm, 2024,26, 431-438
https://doi.org/10.1039/D3CE01096A
Mimic uracil–uracil base pairing: self-assembly and single crystal structure
The controllable synthesis of non-classical nucleobase pairs that can mimic partial biological behavior is very important for the in-depth study of DNA or RNA.
CrystEngComm, 2024,26, 261-267
https://doi.org/10.1039/D3CE01056B
About this collection
This collection brings together all of the research articles behind our 2024 journal covers and showcases the wide range of research found in the journal. Further articles will be added to this collection as they are published so please do return to keep up to date with the work behind our covers. If your article has been accepted for publication, and you are interested in showcasing your research on one of our covers, please do contact the Editorial Team for further information.