NaCO: The First Crystalline Compound with the Elusive C≡C-COO Anion.

By reaction of sodium electride or NaCH with the anhydrous sodium salt of propiolic acid, Na(OOC-C≡C-H), in liquid ammonia crystalline powders of NaCO were obtained. The structure analysis based on synchrotron powder diffraction data revealed that NaCO crystallizes in a monoclinic unit cell (I2/a, Z=4) exhibiting the elusive Y-shaped C≡C-COO anion, which is unprecedented in a crystalline compound up to now. IR/Raman and solid-state NMR spectroscopic investigations with assignments supported by DFT-based ab initio calculations confirm this finding.

Ultrafast Proton Conduction in an Aqueous Electrolyte Confined in Adamantane-like Micropores of a Sulfonated, Aromatic Framework.

Sulfonated, cross-linked porous polymers are promising frameworks for aqueous high-performance electrolyte-host systems for electrochemical energy storage and conversion. The systems offer high proton conductivities, excellent chemical and mechanical stabilities, and straightforward water management. However, little is known about mass transport mechanisms in such nanostructured hosts.

Porous Salts Containing Cationic Al -Hydroxide-Acetate Clusters from Scalable, Green and Aqueous Synthesis Routes.

The solution chemistry of aluminum is highly complex and various polyoxocations are known. Here we report on the facile synthesis of a cationic Al cluster that forms porous salts of composition [Al (OH) (CH COO) ]X , denoted CAU-55-X, with X=Cl , Br , I , HSO . Three-dimensional electron diffraction was employed to determine the crystal structures.

Investigation of the Thermal Stability of Proteinase K for the Melt Processing of Poly(l-lactide).

The enzymatic degradation of aliphatic polyesters offers unique opportunities for various use cases in materials science. Although evidently desirable, the implementation of enzymes in technical applications of polyesters is generally challenging due to the thermal lability of enzymes. To prospectively overcome this intrinsic limitation, we here explored the thermal stability of proteinase K at conditions applicable for polymer melt processing, given that this hydrolytic enzyme is well established for its ability to degrade poly(l-lactide) (PLLA).

A Switchable One-Compound Diode.

A diode requires the combination of p- and n-type semiconductors or at least the defined formation of such areas within a given compound. This is a prerequisite for any IT application, energy conversion technology, and electronic semiconductor devices. Since the discovery of the pnp-switchable compound Ag Te Br in 2009, it is in principle possible to fabricate a diode from a single material without adjusting the semiconduction type by a defined doping level.

Quantification of photooxidative defects in weathered microplastics using C multiCP NMR spectroscopy.

Weathering of microplastics made of commodity plastics like polystyrene, polypropylene and polyethylene introduces polar polymer defects as a result of photooxidation and mechanical stress. Thus, hydrophobic microplastic particles gradually become hydrophilic, consisting of polar oligomers with a significant amount of oxygen-bearing functional groups. This turnover continuously changes interactions between microplastics and natural colloidal matter.

Impact of the COVID-19 Pandemic on Cancer Patient Educators.

Patient education (PE) is vital in reducing anxiety, increasing satisfaction with treatment, helping with self-management, and creating a sense of control for cancer patients. Patients access much of their material from health care providers through in-person visits, patient libraries, and in-person classes. Due to reductions in in-person visits throughout the pandemic, we sought to understand how PE programs responded under varying levels of COVID-19 restrictions to meet the information needs of patients and families.

Understanding disorder and linker deficiency in porphyrinic zirconium-based metal-organic frameworks by resolving the ZrO cluster conundrum in PCN-221.

Porphyrin-based metal-organic frameworks (MOFs), exemplified by MOF-525, PCN-221, and PCN-224, are promising systems for catalysis, optoelectronics, and solar energy conversion. However, subtle differences between synthetic protocols for these three MOFs give rise to vast discrepancies in purported product outcomes and description of framework topologies. Here, based on a comprehensive synthetic and structural analysis spanning local and long-range length scales, we show that PCN-221 consists of ZrO(OH) clusters in four distinct orientations within the unit cell, rather than ZrO clusters as originally published, and linker vacancies at levels of around 50%, which may form in a locally correlated manner.

Spin-ice physics in cadmium cyanide.

Spin-ices are frustrated magnets that support a particularly rich variety of emergent physics. Typically, it is the interplay of magnetic dipole interactions, spin anisotropy, and geometric frustration on the pyrochlore lattice that drives spin-ice formation. The relevant physics occurs at temperatures commensurate with the magnetic interaction strength, which for most systems is 1-5 K.

Design and Precursor-based Solid-State Synthesis of Mixed-Linker Zr-MIL-140A.

Acetic acid, an alternative green solvent, was utilized for the solvothermal synthesis of four 2D materials of composition [ZrO(OAc)(BDC-F)], [ZrO(OAc)(BDC-F)], [ZrO(OAc)(BDC)], and [ZrO(OAc)(NDC)] (BDC, terephthalate; BDC-F, 2-fluoroterephthalate; BDC-F, tetrafluoroterephthalate; NDC, 2,6-naphthalenedicarboxylate). The first three compounds were subsequently reacted with terephthalic acid in solid-state reactions to form porous MIL-140A-type metal-organic frameworks and mixed-linker derivatives ([ZrO(BDC)(BDC-Y)], = 0-0.18, Y = F, F).

Chemotherapy Education and Support: A Model for Use in the Ambulatory Care Setting.

Background: Oncology nurses are challenged to coordinate an effective, evidence-based approach to comprehensive patient education, symptom management, and psychosocial support for patients with pancreatic and colorectal cancers during chemotherapy.

Objectives: The purpose of the study was to develop and evaluate a nurse-led psychoeducational intervention using a multimedia tool.

Methods: Development and testing of the intervention was grounded in the Science and Practice Aligned Within Nursing model for evidence-based practice implementation.

Solvent Impact on the Properties of Benchmark Metal-Organic Frameworks: Acetonitrile-Based Synthesis of CAU-10, Ce-UiO-66, and Al-MIL-53.

Herein is reported the utilization of acetonitrile as a new solvent for the synthesis of the three significantly different benchmark metal-organic frameworks (MOFs) CAU-10, Ce-UiO-66, and Al-MIL-53 of idealized composition [Al(OH)(ISO)], [Ce O (OH) (BDC) ], and [Al(OH)(BDC)], respectively (ISO : isophthalate, BDC : terephthalate). Its use allowed the synthesis of Ce-UiO-66 on a gram scale. While CAU-10 and Ce-UiO-66 exhibit properties similar to those reported elsewhere for these two materials, the obtained Al-MIL-53 shows no structural flexibility upon adsorption of hydrophilic or hydrophobic guest molecules such as water and xenon and is stabilized in its large-pore form over a broad temperature range (130-450 K).

La B O (OH): The First Acentric High-Pressure Borate Displaying Edge-Sharing BO Tetrahedra.

La B O (OH) was obtained by a high-pressure/high-temperature experiment at 6 GPa and 1673 K. The compound crystallizes in the space group P2 (no. 4) with the lattice parameters a=4.

Elucidating the formation of Al-NBO bonds, Al-O-Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations.

Exploring the reasons for the initiation of Al-O-Al bond formation in alkali-earth alumino silicate glasses is a key topic in the glass-science community. Evidence for the formation of Al-O-Al and Al-NBO bonds in the glass composition 38.7CaO-9.

Structural Insights into Poly(Heptazine Imides): A Light-Storing Carbon Nitride Material for Dark Photocatalysis.

Solving the structure of carbon nitrides has been a long-standing challenge due to the low crystallinity and complex structures observed within this class of earth-abundant photocatalysts. Herein, we report on two-dimensional layered potassium poly(heptazine imide) (K-PHI) and its proton-exchanged counterpart (H-PHI), obtained by ionothermal synthesis using a molecular precursor route. We present a comprehensive analysis of the in-plane and three-dimensional structure of PHI.

Synthesis and Characterization of Cs Ga Q (Q=S, Se): Chalcogenometalates with Exotic Polymeric Anions.

Two new chalcogenogallates Cs Ga Q (Q=S, Se) were obtained by a controlled thermal treatment of CsN in the presence of stoichiometric amounts of Ga Q and the elemental chalcogens at elevates temperatures. Both isotypic compounds crystallize in the space group P (no. 2).

Quantitative description of H SQ and DQ coherences for the hydroxyl disorder within hydrous ringwoodite.

Proton-containing point defects in solid materials are important for a variety of properties ranging from ionic transport over thermal conductivity up to compressibility. Ultrafast magic-angle spinning techniques nowadays offer high-resolution solid-state NMR spectra, even for 1H, and thus open up possibilities to study the underlying defect chemistry. Nevertheless, disorder within such defects again leads to heavy spectral overlap of 1H resonances, which prevents quantitative analysis of defect concentrations, if several defect types are present.

Structure and Crystallization of Alkaline-Earth Aluminosilicate Glasses: Prevention of the Alumina-Avoidance Principle.

Aluminosilicate glasses are considered to follow the Al-avoidance principle, which states that Al-O-Al linkages are energetically less favorable, such that, if there is a possibility for Si-O-Al linkages to occur in a glass composition, Al-O-Al linkages are not formed. The current paper shows that breaching of the Al-avoidance principle is essential for understanding the distribution of network-forming AlO and SiO structural units in alkaline-earth aluminosilicate glasses. The present study proposes a new modified random network (NMRN) model, which accepts Al-O-Al linkages for aluminosilicate glasses.

Probing Interactions of N-Donor Molecules with Open Metal Sites within Paramagnetic Cr-MIL-101: A Solid-State NMR Spectroscopic and Density Functional Theory Study.

Understanding host-guest interactions is one of the key requirements for adjusting properties in metal-organic frameworks (MOFs). In particular, systems with coordinatively unsaturated Lewis acidic metal sites feature highly selective adsorption processes. This is attributed to strong interactions with Lewis basic guest molecules.

Understanding the Formation of CaAlSiO in Melilite-Based Glass-Ceramics: Combined Diffraction and Spectroscopic Studies.

An assessment is undertaken for the formation of anorthite crystalline phase in a melilite-based glass composition (CMAS: 38.7CaO-9.7MgO-12.

Two-Step Delamination of Highly Charged, Vermiculite-like Layered Silicates via Ordered Heterostructures.

Because of strong Coulomb interactions, the delamination of charged layered materials becomes progressively more difficult with increasing charge density. For instance, highly charged sodium fluorohectorite (NaMgLiSiOF, Na-Hec) cannot be delaminated directly by osmotic swelling in water because its layer charge exceeds the established limit for osmotic swelling of 0.55 per formula unit SiOF.

Proton-driven coordination-induced spin state switch (PD-CISSS) of iron(ii) complexes.

Here we report the completely reversible spin state switch of the naturally diamagnetic tris(bipyridine)iron(ii) complex and the spin crossover complex bis(2,6-bis(1H-pyrazol-3-yl)pyridine)iron(ii) by the variation of the pH followed by H-NMR, UV-Vis spectroscopy, and magnetic and relaxivity measurements in solution and as composite materials encapsulated in a zeolite matrix.

Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid.

The new aluminium based metal-organic framework [Al(OH)(O2C-C4H8-CO2)]·H2O denoted as Al-MIL-53-ADP-lp (lp stands for large pore) was synthesised under solvothermal conditions. This solid is an analogue of the archetypical aluminium terephthalate Al-MIL-53 based on the aliphatic single-chain linker molecule adipic acid (H2ADP, hexanedioic acid). In contrast to its aromatic counterparts, Al-MIL-53-ADP exhibits a structural breathing behaviour solely upon dehydration/rehydration.