Isostructural
View article: Dithiolane and 1,4,7-Trithianonane Complexes of BiI3/CuI and SbI3/CuI
Dithiolane and 1,4,7-Trithianonane Complexes of BiI3/CuI and SbI3/CuI Open
Reaction of BiI 3 /CuI or SbI 3 /CuI mixtures with the cyclic thioalkanes 1,3-dithiolane (DTL) or 1,4,7-trithiacyclononane (9S3) in toluene yielded the compounds BiCu 3 I 6 (DTL) 3 ( 1 ), SbCu 3 I 6 (DTL) 3 ( 2 ), and Bi 2 Cu 3 I 9 (9S3) 4…
View article: Bonding and reactivity of isostructural uranyl and neptunyl peroxide phases
Bonding and reactivity of isostructural uranyl and neptunyl peroxide phases Open
Understanding the reactivity of actinide peroxides is critical for predicting the behavior of spent nuclear fuel in radiolytic environments. Herein, we report the synthesis and characterization of a lithium neptunyl(VI) hydroxo peroxo comp…
View article: Coordination Pore‐Space Engineering in Robust Cage‐Like Metal‐Organic Frameworks for Highly Efficient CO <sub>2</sub> Capture from Flue Gas
Coordination Pore‐Space Engineering in Robust Cage‐Like Metal‐Organic Frameworks for Highly Efficient CO <sub>2</sub> Capture from Flue Gas Open
Developing novel porous adsorbents for highly selective CO 2 from wet‐hot flue gas represents one of the most promising technologies to mitigate the negative impact on the environment via suppressing CO 2 emissions, albeit it remains highl…
View article: Structural Studies of Sodium Counterion on Naproxen: From Solid State to Stability
Structural Studies of Sodium Counterion on Naproxen: From Solid State to Stability Open
Naproxen (NPX) is a widely used nonsteroidal anti‐inflammatory drug (NSAID) with limited aqueous solubility, commonly formulated as its sodium salt (SNPX) to enhance dissolution and absorption. This study systematically examines the influe…
View article: Carbon-rich lunar core evidenced by isostructural phase transitions in iron
Carbon-rich lunar core evidenced by isostructural phase transitions in iron Open
The successful Chang'e mission has reignited scientific interests in the Moon, with analyses of returned samples advancing our understanding of lunar composition and evolution 1-4 . Pioneering models proposed that the Moon harbo…
View article: Impact of Electron Correlations on Infinite-Layer Cuprates and Nickelates
Impact of Electron Correlations on Infinite-Layer Cuprates and Nickelates Open
Optimization of unconventional superconductivity involves a balance of interaction strengths. Precise determination of correlation strength across different material families is therefore important. Here, we present a combined X-ray absorp…
View article: Impact of Electron Correlations on Infinite-Layer Cuprates and Nickelates
Impact of Electron Correlations on Infinite-Layer Cuprates and Nickelates Open
Optimization of unconventional superconductivity involves a balance of interaction strengths. Precise determination of correlation strength across different material families is therefore important. Here, we present a combined X-ray absorp…
View article: Phosphate-Functionalized Zero-Valent Iron for Efficient Separation of Europium from Acidic Associated Mineral Wastewater
Phosphate-Functionalized Zero-Valent Iron for Efficient Separation of Europium from Acidic Associated Mineral Wastewater Open
The hydrometallurgical processing of associated radioactive minerals inevitably produces acidic wastewater containing europium (Eu 3+ ), a critical rare-earth element whose co-occurrence with radionuclides complicates separation…
View article: Isostructural phase transition and tunable electrical properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>La</mml:mi> <mml:msub> <mml:mi mathvariant="normal">I</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:mrow> </mml:math> under compression
Isostructural phase transition and tunable electrical properties of under compression Open
La I 3 has emerged as a promising scintillator due to its relatively small band gap. While some studies have explored various dopants to enhance its performance, there remains significant room for optimization, highlighting the impor…
View article: Towards an interoperable perovskite description or how to keep track of 300 perovskite ions
Towards an interoperable perovskite description or how to keep track of 300 perovskite ions Open
Hybrid perovskites are interesting optoelectronic materials. The perovskite ABX3 structure offers a vast compositional space, and we have identified over 300 perovskite ions. This flexibility enables tuneable properties and has significant…
View article: New Isostructural Family of Mixed-Metal Na-M(III)-MOFs Based on Glycolic Acid
New Isostructural Family of Mixed-Metal Na-M(III)-MOFs Based on Glycolic Acid Open
A series of new isostructural metal–organic frameworks based on trivalent metal ions (Al, Fe, Ga), Na+ ions and glycolate ions as the linker molecules, denoted as M-CAU-64, with the framework composition [M(III)Na(H2O)2(C2H2O3)2] · x H2O w…
View article: Uranium-stibinidiide, -stibinidene, and -stibido multiple bonds and uranium-nitride formation from multimetallic diuranium-distibene-mediated dinitrogen cleavage
Uranium-stibinidiide, -stibinidene, and -stibido multiple bonds and uranium-nitride formation from multimetallic diuranium-distibene-mediated dinitrogen cleavage Open
Although uranium-nitrogen multiple bonding is well developed, there are far fewer uranium-phosphorus and -arsenic multiple bonds, and none for antimony, even in spectroscopic scenarios. Here, we report straightforward syntheses of uranium-…
View article: Understanding the Photophysical Properties of the Polyoxotitanates Ln<sub>2</sub>Ti<sub>4</sub>O<sub>6</sub>(phen)<sub>2</sub>(met)<sub>10</sub>
Understanding the Photophysical Properties of the Polyoxotitanates Ln<sub>2</sub>Ti<sub>4</sub>O<sub>6</sub>(phen)<sub>2</sub>(met)<sub>10</sub> Open
Understanding and tuning the luminescent properties of lanthanide(III) ions is of great interest for a range of optical applications, for example photo down-shifters for photovoltaics. In this work a series of isostructural polyoxotitanate…
View article: Mechanism of Isostructural Phase Transition in Isobutane
Mechanism of Isostructural Phase Transition in Isobutane Open
View article: Mechanistic Insights into Molecular Oxygen Reactivity with Late Transition Metal–Hydride Bonds
Mechanistic Insights into Molecular Oxygen Reactivity with Late Transition Metal–Hydride Bonds Open
A gold complex, [(tBuPCP)Au-H]+ (tBuPCP = 2,6-bis(di-tert-butylphosphinomethyl)benzene), has been recently reported to insert O2 into the Au(III)-H bond, leading to a stable …
View article: Evolution of Griffiths-like Anomaly in Isostructural Swedenborgite Compounds Ho1−xErxBaCo4O7+δ
Evolution of Griffiths-like Anomaly in Isostructural Swedenborgite Compounds Ho1−xErxBaCo4O7+δ Open
In this study, we investigate the presence of the Griffiths-like anomaly in the geometrically frustrated antiferromagnet HoBaCo4O7+δ and globally its absence in ErBaCo4O7+δ, despite only small differences in the ionic radii, f-electron occ…
View article: Y5F3[AsO3]4 and Y5Cl3[AsO3]4: Two Non-Isostructural Yttrium Halide Oxoarsenates(III) and Their Potential as Hosts for Luminescent Eu3+- and Tb3+-Doping
Y5F3[AsO3]4 and Y5Cl3[AsO3]4: Two Non-Isostructural Yttrium Halide Oxoarsenates(III) and Their Potential as Hosts for Luminescent Eu3+- and Tb3+-Doping Open
Y5F3[AsO3]4 crystallizes needle-shaped in the tetragonal space group P4/ncc with the lattice parameters a = 1143.80(8) pm, c = 1078.41(7) pm and c/a = 0.9428 for Z = 4. The yttrium-fluoride substructure linked via secondary contacts forms …
View article: Pressure‐Induced Metallization and Isostructural Transitions in 3R‐MoS<sub>2</sub>
Pressure‐Induced Metallization and Isostructural Transitions in 3R‐MoS<sub>2</sub> Open
At ambient conditions 3R‐polytypes of transition metal dichalcogenides (TMDs) demonstrate fascinating properties because of their unique layer stacking. Understanding the structure‐property relationship is essential for the realization of …
View article: Diaquabis(<scp>DL</scp>-α-lipoato-κ<sup>2</sup> <i>O</i>,<i>O</i>′)manganese(II)
Diaquabis(<span>DL</span>-α-lipoato-κ<sup>2</sup> <i>O</i>,<i>O</i>′)manganese(II) Open
The manganese(II) coordination compound, [Mn(C 8 H 13 S 2 O 2 ) 2 (H 2 O) 2 ], with two bidentate α-lipoate ligands and two coordinating water molecules, has been structurally characterized. The cantral Mn II atom lies on a crystallographi…
View article: Map of the Zintl AM<sub>2</sub>Pn<sub>2</sub> Compounds: Influence of Chemistry on Stability and Electronic Structure
Map of the Zintl AM<sub>2</sub>Pn<sub>2</sub> Compounds: Influence of Chemistry on Stability and Electronic Structure Open
The AM2Pn2 (A= Ca, Sr, Ba, Yb, Mg; M = Zn, Cd, Mg; and Pn = N, P, As, Sb, Bi) family of Zintl phases has been known as thermoelectric materials and has recently gained much attention for highly promising materials for…
View article: Investigation of Structural and Vibrational Properties of Topological Nodal‐Line Semimetal PtSn<sub>4</sub> under Pressure
Investigation of Structural and Vibrational Properties of Topological Nodal‐Line Semimetal PtSn<sub>4</sub> under Pressure Open
This work investigates the influence of external pressure on the structural and vibrational properties of the topological nodal line semimetal (TNLS), PtSn 4 , respectively, through synchrotron X‐ray diffraction and Raman spectroscopy. Sys…
View article: Modification of Hydrophobic and Hydrophilic Features in Isostructural 3D Pillar-Layered Coordination Polymers for Adsorption Studies
Modification of Hydrophobic and Hydrophilic Features in Isostructural 3D Pillar-Layered Coordination Polymers for Adsorption Studies Open
A series of new microporous three-dimensional (3D) pillar-layered coordination polymers, including [Zn(pzt)(R-ipa)0.5]n (R = H (1-H), NH2 (1-NH2), and OH (1-OH)) and […
View article: Strontium Tris(cyclopentadienyl) Complexes: Isostructural f<sup>0</sup>/d<sup>0</sup> Analogues of Divalent Lanthanides
Strontium Tris(cyclopentadienyl) Complexes: Isostructural f<sup>0</sup>/d<sup>0</sup> Analogues of Divalent Lanthanides Open
Isostructural, diamagnetic diluents are commonly used in magnetic investigations to eliminate interactions between neighboring electron spins. For divalent lanthanides, these diluents are currently limited to closed-shell ytterbium(II) com…
View article: Optimized Flux Single-Crystal Growth of the Quantum Spin Liquid Candidate NdTa<sub>7</sub>O<sub>19</sub> and Other Rare-Earth Heptatantalates, ErTa<sub>7</sub>O<sub>19</sub> and GdTa<sub>7</sub>O<sub>19</sub>
Optimized Flux Single-Crystal Growth of the Quantum Spin Liquid Candidate NdTa<sub>7</sub>O<sub>19</sub> and Other Rare-Earth Heptatantalates, ErTa<sub>7</sub>O<sub>19</sub> and GdTa<sub>7</sub>O<sub>19</sub> Open
Single crystals are essential for characterizing a wide range of magnetic states, including exotic ones such as quantum spin liquids. This study reports a flux method for growing single crystals of NdTa7O19, the first…
View article: Proposal of Molecular‐Level Crystallization Mechanism for Halogenated Benzyl Alcohols: A Study of Isostructural Crystals
Proposal of Molecular‐Level Crystallization Mechanism for Halogenated Benzyl Alcohols: A Study of Isostructural Crystals Open
Herein, crystallization mechanisms for halogenated benzyl alcohols, based on theoretical energetic and topological data of intermolecular and supramolecular interactions, are proposed. All interactions are verified and energetically classi…
View article: Crystallographic Visualization of Distinct Iodic Aggregations in Isostructural Metal–Organic Frameworks
Crystallographic Visualization of Distinct Iodic Aggregations in Isostructural Metal–Organic Frameworks Open
Precisely determining the location of adsorbed molecules is essential for illuminating the mechanisms underlying molecular confinement within porous metal-organic frameworks (MOFs). Here, we present the pore-filling and reactive adsorption…
View article: Construction of Four 3D Isostructural Rare Earth‐Tetrabromoterephthalate Frameworks with <i>stp</i> Topology: Synthesis, Crystal Structure, and CO<sub>2</sub> Sorption Properties
Construction of Four 3D Isostructural Rare Earth‐Tetrabromoterephthalate Frameworks with <i>stp</i> Topology: Synthesis, Crystal Structure, and CO<sub>2</sub> Sorption Properties Open
The 3D rare earth metal‐organic frameworks containing tetrabromoterephthalate (Br 4 tp) linkers with square trigonal prism ( stp ) topological network, [RE(Br 4 tp) 1.5 ]·3H 2 O (RE‐MOF; RE = Er, Tm, Yb, and Lu), were synthesized through t…
View article: Selective C <sub>2</sub> Electroproduction via Back Bonding in Asymmetric Copper‐Copper Motifs
Selective C <sub>2</sub> Electroproduction via Back Bonding in Asymmetric Copper‐Copper Motifs Open
CO 2 reduction reaction (CO 2 RR) is considered a highly attractive approach to reduce carbon emissions and yet encounters challenges in further converting *C 1 intermediates to valuable two‐carbon (C 2 ) products. Although copper‐based ca…
View article: Ca(BF<sub>4</sub>)<sub>2</sub>·<i>x</i>H<sub>2</sub>O redefined from powder diffraction as hydrogen-bonded Ca(H<sub>2</sub>O)<sub>4</sub>(BF<sub>4</sub>)<sub>2</sub> ribbons
Ca(BF<sub>4</sub>)<sub>2</sub>·<i>x</i>H<sub>2</sub>O redefined from powder diffraction as hydrogen-bonded Ca(H<sub>2</sub>O)<sub>4</sub>(BF<sub>4</sub>)<sub>2</sub> ribbons Open
The crystal structure of the calcium bis(tetrafluoroborate) hydrate Ca(BF 4 ) 2 · x H 2 O has been determined from laboratory powder diffraction data. The water molecules all belong to [CaO 4 F 4 ] square antiprisms sharing F corners with …
View article: A Diazo Linker Ligand Promotes Flexibility and Induced Fit Binding in a Microporous Copper Coordination Network
A Diazo Linker Ligand Promotes Flexibility and Induced Fit Binding in a Microporous Copper Coordination Network Open
Flexible organic linkers represent an intuitive and effective strategy to design flexible metal–organic materials. We report herein a systematic study concerning the effect of varying the central bond of mixed pyridyl‐benzoate linkers, L, …