Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa

Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon

doi:10.1039/c9cc09884d

Chem. Commun.

2020

DOI: 10.1039/c9cc09884d

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Pressure-induced inclusion of neon in the crystal structure of a molecular Cu₂(pacman) complex at 4.67 GPa

Nico Giordano

Christine M. Beavers

Konstantin V. Kamenev

et al.

Abstract: Crystals of Cu2(pacman) inflate on taking up neon at 46 000 atm through a switch in the ligand conformation.

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Effect of pressure on the structure of multispin complexes

Романенко¹,

Letyagin²,

Овчаренко³

2022

RUSS CHEM REV

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Changes in the hydrostatic pressure may significantly affect the spin dynamics of magnetically active compounds. Hence, objects exhibiting spin transitions have attracted attention of researchers in different fields. Since these transitions are reversible and do not cause the chemical decomposition of the compounds, spin state conversions can be responsible for the functional activity of materials as data storage media, external stimulus sensors or actuators for certain solid-state processes. Moreover, multispin compounds can demonstrate specific structural dynamics that is not inherent in diamagnetic compounds, which is of independent interest. The review presents the analysis of recent data on the effect of hydrostatic pressure on the crystal structure and magnetic properties of metal complexes with organic diamagnetic and paramagnetic ligands, exhibiting spin transitions and valence tautomerism, organic paramagnets and single-molecule magnets. The bibliography includes 179 references.

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Effect of pressure on the structure of multispin complexes

Романенко¹,

Letyagin²,

Овчаренко³

2022

RUSS CHEM REV

View full text Add to dashboard Cite

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The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal

Patyk-Kaźmierczak,

Izquierdo-Ruiz,

Lobato

et al. 2024

Int Union Crystallogr J

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In the search for new active pharmaceutical ingredients, the precise control of the chemistry of cocrystals becomes essential. One crucial step within this chemistry is proton migration between cocrystal coformers to form a salt, usually anticipated by the empirical ΔpK a rule. Due to the effective role it plays in modifying intermolecular distances and interactions, pressure adds a new dimension to the ΔpK a rule. Still, this variable has been scarcely applied to induce proton-transfer reactions within these systems. In our study, high-pressure X-ray diffraction and Raman spectroscopy experiments, supported by DFT calculations, reveal modifications to the protonation states of the 4,4′-bipyridine (BIPY) and malonic acid (MA) cocrystal (BIPYMA) that allow the conversion of the cocrystal phase into ionic salt polymorphs. On compression, neutral BIPYMA and monoprotonated (BIPYH+MA−) species coexist up to 3.1 GPa, where a phase transition to a structure of P21/c symmetry occurs, induced by a double proton-transfer reaction forming BIPYH2 2+MA2−. The low-pressure C2/c phase is recovered at 2.4 GPa on decompression, leading to a 0.7 GPa hysteresis pressure range. This is one of a few studies on proton transfer in multicomponent crystals that shows how susceptible the interconversion between differently charged species is to even slight pressure changes, and how the proton transfer can be a triggering factor leading to changes in the crystal symmetry. These new data, coupled with information from previous reports on proton-transfer reactions between coformers, extend the applicability of the ΔpK a rule incorporating the pressure required to induce salt formation.

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Pressure-induced inclusion of neon in the crystal structure of a molecular Cu₂(pacman) complex at 4.67 GPa

Abstract: Crystals of Cu2(pacman) inflate on taking up neon at 46 000 atm through a switch in the ligand conformation.

Cited by 2 publications

References 25 publications

Effect of pressure on the structure of multispin complexes

Effect of pressure on the structure of multispin complexes

The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal

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Pressure-induced inclusion of neon in the crystal structure of a molecular Cu2(pacman) complex at 4.67 GPa

Abstract: Crystals of Cu2(pacman) inflate on taking up neon at 46 000 atm through a switch in the ligand conformation.

Cited by 2 publications

References 25 publications

Effect of pressure on the structure of multispin complexes

Effect of pressure on the structure of multispin complexes

The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal

Contact Info

Product

Resources

About

Pressure-induced inclusion of neon in the crystal structure of a molecular Cu₂(pacman) complex at 4.67 GPa