Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approach

Tsuppayakorn‐aek, Prutthipong; Bovornratanaraks, Thipok; Ahuja, Rajeev; Bovornratanaraks, Thiti; Luo, Wei

doi:10.1016/j.commatsci.2022.111652

Cited by 2 publications

(1 citation statement)

References 49 publications

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“…While the crystal structure of tI 8-Y is quite unusual, especially for material synthesized at very high pressures, it is isostructural to the host sublattice of the incommensurate Bi-III phase ( 35 ). Moreover, such an arrangement of Y atoms was predicted for the host sublattice of a hypothetical host-guest structure of yttrium ( 36 ). The analysis of our SCXRD data does not reveal any detectable residual electron density in the channels.…”

Section: Resultsmentioning

confidence: 95%

Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems

Aslandukova,

Aslandukov,

Laniel

et al. 2024

Sci. Adv.

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The yttrium-hydrogen system has gained attention because of near-ambient temperature superconductivity reports in yttrium hydrides at high pressures. We conducted a study using synchrotron single-crystal x-ray diffraction (SCXRD) at 87 to 171 GPa, resulting in the discovery of known (two YH 3 phases) and five previously unknown yttrium hydrides. These were synthesized in diamond anvil cells by laser heating yttrium with hydrogen-rich precursors—ammonia borane or paraffin oil. The arrangements of yttrium atoms in the crystal structures of new phases were determined on the basis of SCXRD, and the hydrogen content estimations based on empirical relations and ab initio calculations revealed the following compounds: Y 3 H 11 , Y 2 H 9 , Y 4 H 23 , Y 13 H 75 , and Y 4 H 25 . The study also uncovered a carbide (YC 2 ) and two yttrium allotropes. Complex phase diversity, variable hydrogen content in yttrium hydrides, and their metallic nature, as revealed by ab initio calculations, underline the challenges in identifying superconducting phases and understanding electronic transitions in high-pressure synthesized materials.

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Section: Resultsmentioning

confidence: 95%

Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems

Aslandukova,

Aslandukov,

Laniel

et al. 2024

Sci. Adv.

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Guest Molecules with Amino and Sulfhydryl Groups Enhance Photoluminescence by Reducing the Intermolecular Ligand-to-Metal Charge Transfer Process of Metal–Organic Frameworks

2022

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Micron-sized metal–organic framework (MOF) sheets were prepared using organic molecules with aggregation-induced emission (AIE) properties as ligands. The intermolecular ligand-to-metal charge transfer (LMCT) process occurs in MOF structures, resulting in the disappearance of the matrix coordination-induced emission (MCIE) effect and emergence of the aggregation-caused quenching (ACQ) effect. Here, we demonstrate that molecules with electron donors can compete with the LMCT process in MOF structures, thereby changing the transfer path of the excitation energy and returning it to the ground state, mainly in the form of fluorescence. Organic molecules with amino or sulfhydryl groups can act as effective electron donors, reducing the LMCT process and causing the MCIE effect of the MOF sheet. The coexistence of amino and sulfhydryl groups will strongly inhibit the LMCT process of the MOF sheet, thereby greatly enhancing the MCIE effect. Therefore, these types of molecules can be used to regulate the photoluminescence intensity of AIE-based MOF materials. In addition, there are some organic molecules with multiple carboxyl or hydroxyl groups which can produce similar effects. Finally, it was confirmed that the intermolecular LMCT process is highly sensitive, and the MOF sheet showed distinguishable fluorescence results even with the addition of small molecules in the amount of 10−9 M. Thus, it is a feasible idea to use the fluorescence changes induced by the LMCT process as a sensitive sensing method for small molecules.

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Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approach

Cited by 2 publications

References 49 publications

Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems

Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems

Guest Molecules with Amino and Sulfhydryl Groups Enhance Photoluminescence by Reducing the Intermolecular Ligand-to-Metal Charge Transfer Process of Metal–Organic Frameworks

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Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approach

Cited by 2 publications

References 49 publications

Diverse high-pressure chemistry in Y-NH 3 BH 3 and Y–paraffin oil systems

Diverse high-pressure chemistry in Y-NH 3 BH 3 and Y–paraffin oil systems

Guest Molecules with Amino and Sulfhydryl Groups Enhance Photoluminescence by Reducing the Intermolecular Ligand-to-Metal Charge Transfer Process of Metal–Organic Frameworks

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Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems

Diverse high-pressure chemistry in Y-NH ₃ BH ₃ and Y–paraffin oil systems