Synthesis, crystal structure, and vibrational study of K2Cu(HPO4)2·6H2O: A new metal hydrogenphosphate compound

Ettoumi, Houda; Bulou, A.; Suñol, J.J.; Mhiri, Tahar

doi:10.1016/j.molstruc.2015.06.060

Cited by 3 publications

(3 citation statements)

References 24 publications

(19 reference statements)

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“…41 According to the present results, the local structure and ground state of compounds involving Cu 2+ , Ag 2+ , or Mn 3+ cations in low-symmetry insulating lattices can hardly be explained through the JTE. By contrast, the ideas developed in this work can be useful for that purpose and, in particular, for explaining the properties of CuF 2 (H 2 O) 2 (pyz), 39,40 99 or the model compound CuF 2 . 100 Work along this line is now in progress.…”

Section: +mentioning

confidence: 99%

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Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts

et al. 2019

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In the last 65 years the properties of Tutton salts containing Cu 2+ cations have been interpreted on the basis of elongated complexes induced by a static Jahn−Teller effect (JTE). Through the analysis of experimental data and the results of first-principles calculations, we show here that such an idea, though widely followed, is not correct. By contrast, this work proves that the local geometry of Cu(H 2 O) 6 2+ units in Tutton salts actually arises from a compressed octahedron although hidden by an additional orthorhombic instability fully unrelated to the JTE. For understanding this conclusion, it is crucial to consider the effects of the internal electric field, E R (r), created by the rest of the lattice ions on the electrons localized in the Cu(H 2 O) 6 2+ unit. Indeed, the E R (r) field in Tutton salts opens a gap between ∼x 2 −y 2 and ∼3z 2 −r 2 antibonding molecular orbitals that favors a hole in ∼3z 2 −r 2 and triggers an orthorhombic distortion in the XY plane that reasonably explains available experimental data. The conditions responsible for the orthorhombic instability are discussed pointing out the singularity of Cu 2+ complexes in the realm of 3d divalent cations. For the sake of completeness the properties of Cu(H 2 O) 6 2+ units in trigonal lattices, where a JTE is clearly observed, are analyzed in detail and compared to results of Cu 2+ cations in cubic lattices. In the trigonal compounds, the force constant of the Jahn−Teller mode is shown to be smaller than that for hard ligands like O 2− or F − but comparable to the softer ligand Cl −. This fact helps to promote the orthorhombic instability in the Cu(H 2 O) 6 2+ complex when the hole is no longer in the ∼x 2 −y 2 orbital but in ∼3z 2 −r 2 .

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Section: +mentioning

confidence: 99%

“…K 2 Cu-(HPO 4 ) 2 •6H 2 O,99 or the model compound CuF 2 100. Work along this line is now in progress.…”

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confidence: 99%

Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts

et al. 2019

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“…7. [40][41][42][43][44][45] The logarithmic plot of σ ac vs inverse of temperature followed the Arrhenius equation. [46][47][48][49][50][51][52] A sample of polished mohrite crystal with a recognized dimension was exposed to dc electrical conductivity study.…”

Section: Characterisationsmentioning

confidence: 99%

Synthesis, Studies of Inorganic Class of Mohrite (MOH) Crystals for Electrical, Electronic, Photonic, Phase Matching and Sensor Utilities by Theory and Practice

K.,

R.,

et al. 2024

ECS J. Solid State Sci. Technol.

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The high-quality single crystals of Mohrite (MOH) with dimensions 7 x 6 x 3 mm3 were productively grown-up by the customary solution growth modus-operandi. The fully grown crystals were focused to the appropriate structural, optical and electrical investigations. The monoclinic nature of the specimen with P21/c as the space group and lattice parameters are a as 6.2385Å, b as 12.6076Å, c as 9.2655 Å and beta is 106.526o . The crystalline structural authentication with single crystal XRD analysis and compared the same with software based associated results. FITR spectra reveal the vibrational modes of as grown crystals. Optical absorption spectral data divulges that the as-grown crystalline sample has higher optical transparent nature in the visible-NIR region. Photoluminescence intensity is remarkably enriched, shows high crystallinity of MOH. The results of UV, PL, electrical and photo conductivity, SEM, theoretical studies suggest MOH in photonic utility and device appliances especially in UV filters and in electronic filters, room temperature based sensor study for MOH is enabled and reported for red LED based work.

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Katerinopoulosite, (NH4)2Zn(SO4)2·6H2O, a new mineral from the Esperanza mine, Lavrion, Greece

Чуканов

Pekov

Belakovskiy

et al. 2018

ejm

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Synthesis, crystal structure, and vibrational study of K2Cu(HPO4)2·6H2O: A new metal hydrogenphosphate compound

Cited by 3 publications

References 24 publications

Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts

Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts

Synthesis, Studies of Inorganic Class of Mohrite (MOH) Crystals for Electrical, Electronic, Photonic, Phase Matching and Sensor Utilities by Theory and Practice

Katerinopoulosite, (NH4)2Zn(SO4)2·6H2O, a new mineral from the Esperanza mine, Lavrion, Greece

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Synthesis, crystal structure, and vibrational study of K2Cu(HPO4)2·6H2O: A new metal hydrogenphosphate compound

Cited by 3 publications

References 24 publications

Insight into Compounds with Cu(H2O)62+ Units: New Ideas for Understanding Cu2+ in Tutton Salts

Insight into Compounds with Cu(H2O)62+ Units: New Ideas for Understanding Cu2+ in Tutton Salts

Synthesis, Studies of Inorganic Class of Mohrite (MOH) Crystals for Electrical, Electronic, Photonic, Phase Matching and Sensor Utilities by Theory and Practice

Katerinopoulosite, (NH4)2Zn(SO4)2·6H2O, a new mineral from the Esperanza mine, Lavrion, Greece

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Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts

Insight into Compounds with Cu(H₂O)₆²⁺ Units: New Ideas for Understanding Cu²⁺ in Tutton Salts