Crystal Structure, Phase Transition and Thermal Behaviour of Dabcodiium hexaaquacopper(II) bis(selenate/sulfate), (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2

Nkhili, Nouha Loulou; Rekik, Walid; Naı̈li, Houcine; Mhiri, Tahar; Bataille, Thierry

doi:10.1007/s10870-011-0157-9

Cited by 8 publications

(5 citation statements)

References 14 publications

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“…With each BIG, sulfate is slightly preferred over selenate, most likely due to the higher charge density of the former, resulting in stronger hydrogen bonds. This behavior has been observed previously in the crystallization of equimolar concentrations of sulfate and selenate in a dabcodiium hexaaquacopper(II) bis(selenate/sulfate) crystal that resulted in 66% and 34% occupancy factors of sulfate and selenate, respectively …”

Section: Resultssupporting

confidence: 80%

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Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Einkauf

Williams

Seipp

et al. 2023

JACS Au

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Selenium (Se) has become an environmental contaminant of aquatic ecosystems as a result of human activities, particularly mining, fossil fuel combustion, and agricultural activities. By leveraging the high sulfate concentrations relative to Se oxyanions (i.e., SeO n 2– , n = 3, 4) present in some wastewaters, we have developed an efficient approach to Se-oxyanion removal by cocrystallization with bisiminoguanidinium (BIG) ligands that form crystalline sulfate/selenate solid solutions. The crystallization of the sulfate, selenate and selenite, oxyanions and of sulfate/selenate mixtures with five candidate BIG ligands are reported along with the thermodynamics of crystallization and aqueous solubilities. Oxyanion removal experiments with the top two performing candidate ligands show a near quantitative removal (>99%) of sulfate or selenate from solution. When both sulfate and selenate are present, there is near quantitative removal (>99%) of selenate, down to sub-ppb Se levels, with no discrimination between the two oxyanions during cocrystallization. Reducing the selenate concentrations by 3 orders of magnitude or more relative to sulfate, as found in many wastewaters, led to no measurable loss in Se removal efficiencies. This work offers a simple and effective alternative to selective separation of trace amounts of highly toxic selenate oxyanions from wastewaters, to meet stringent regulatory discharge limits.

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Section: Resultssupporting

confidence: 80%

“…This behavior has been observed previously in the crystallization of equimolar concentrations of sulfate and selenate in a dabcodiium hexaaquacopper(II) bis(selenate/sulfate) crystal that resulted in 66% and 34% occupancy factors of sulfate and selenate, respectively. 23 …”

Section: Resultsmentioning

confidence: 99%

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Einkauf

Williams

Seipp

et al. 2023

JACS Au

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“…The deviation from the ideal octahedral geometry is revealed by the range of angles observed around the metallic center (from 86.97 (5) [16,20,[61][62][63] and then the geometry around this metal can be described as square bipyramidal…”

Section: Crystal Structuresmentioning

confidence: 99%

Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential

et al. 2016

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International audienceThree new hybrid nitrate materials based on transition metals and templated by piperazine, (C4H12N2)3[MII(H2O)6](NO3)8 with MII: Mn (1), Cu (2) and Co (3) have been investigated and crystallographically characterized. The single crystal X-ray diffraction study shows that the three complexes crystallize in the triclinic system, space group P1¯. Within the adopted supramolecular structures, isolated entities [MII(H2O)6]2+, NO3 − and (C4H12N2)2+ are held together through an extensive H-bonded system forming a three-dimensional network. The thermogravimetric analysis and temperature-dependent X-ray diffraction (TDXD) were used to follow the thermal behavior of the compounds. The TG analysis shows that, under heating, the precursors decompose into M2O3 via two steps: a dehydration followed by a total decomposition. The nature of the intermediate phases was studied using TDXD analysis. The orientation and strength of the non-covalent interactions binding the crystal, particularly the hydrogen bond network, were examined using density-functional theory (DFT) electron density and the non-covalent interaction (NCI) plot technique. The synthesized compounds were screened for antibacterial and antifungal activities against five Gram-positive, three Gram-negative bacteria and three fungi. © 2016 Elsevier Lt

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“…Naïli and Bataille and co‐workers have used organic amines as templates, including piperazine, 2‐methylpiperazine, 1,4‐diazabicyclo[2.2.2]octane (dabco), and guanidine, combined with divalent metal sulfate to synthesize a series of organic–inorganic hybrid materials. Some compounds display reversible structural phase transitions, and the crystal structures of the compounds around the phase transition point were studied in detail . For instance, (H 2 dabco)[Cu(H 2 O) 6 ](SO 4 ) 2 undergoes a phase transition at about 265.7–281.8 K from space group P 2 1 / n at high temperature to space group P 2 1 / a at low temperature, and this phase transition is induced by the disordered (H 2 dabco) 2+ cations changing to low symmetry and more ordered status upon the temperature decreasing .…”

Section: Introductionmentioning

confidence: 99%

Phase Transition Originating from Disorder–Order Transformation Coupled with Reorientation in the Organic–Inorganic Hybrid Compound (C₄H₁₄N₂)[Cd₂(H₂O)₆(SO₄)₃]

Chen

Zhang

et al. 2017

Eur J Inorg Chem

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The organic-inorganic hybrid compound 1,4-butyldiammonium hexaaquadicadmium(II) trisulfate (C 4 H 14 N 2 )[Cd 2 -(H 2 O) 6 (SO 4 ) 3 ] (1) was synthesized by the reaction of 3CdSO 4 ·8H 2 O with 1,4-butanediamine in sulfuric acid aqueous solution. Differential scanning calorimetry measurements indicate that 1 undergoes a reversible phase transition at 243.4 K with a thermal hysteresis of 3.3 K. Single-crystal X-ray diffraction data disclose that the phase transition is from the room-temperature phase with the space group C2/c to the low-temperature phase with the space group P1 with the Aizu notation of [a]

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Crystal Structure, Phase Transition and Thermal Behaviour of Dabcodiium hexaaquacopper(II) bis(selenate/sulfate), (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2

Cited by 8 publications

References 14 publications

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential

Phase Transition Originating from Disorder–Order Transformation Coupled with Reorientation in the Organic–Inorganic Hybrid Compound (C₄H₁₄N₂)[Cd₂(H₂O)₆(SO₄)₃]

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Crystal Structure, Phase Transition and Thermal Behaviour of Dabcodiium hexaaquacopper(II) bis(selenate/sulfate), (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2

Cited by 8 publications

References 14 publications

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Non-covalently generated 3D supramolecular crystal structure in a new family of hybrid nitrates templated by piperazine: Thermal behavior and in vitro antimicrobial potential

Phase Transition Originating from Disorder–Order Transformation Coupled with Reorientation in the Organic–Inorganic Hybrid Compound (C4H14N2)[Cd2(H2O)6(SO4)3]

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Phase Transition Originating from Disorder–Order Transformation Coupled with Reorientation in the Organic–Inorganic Hybrid Compound (C₄H₁₄N₂)[Cd₂(H₂O)₆(SO₄)₃]