Author
Shichang Liu
Bio: Shichang Liu is an academic researcher from Inner Mongolia Normal University. The author has contributed to research in topics: Crystal structure & Molecule. The author has an hindex of 1, co-authored 2 publications receiving 14 citations.
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TL;DR: The crystal structure of a cryptate complex of europium, C18H36O6N2Eu2(NO3)6·H2O, has been determined from three-dimensional single-crystal X-ray diffraction data collected on a computer-automated diffractometer as mentioned in this paper.
14 citations
TL;DR: In this article , a series of experiments and a detailed density functional theory (DFT) study were conducted to investigate the solidification/stabilisation behaviors of Zn2+ in MKPC.
Abstract: The solidification/stabilisation behaviours of Zn2+ in magnesium potassium phosphate cement (MKPC) have not been thoroughly investigated. Herein, a series of experiments and a detailed density functional theory (DFT) study were conducted to investigate the solidification/stabilisation behaviours of Zn2+ in MKPC. The results showed that the compressive strength of MKPC reduced with the addition of Zn2+ because the formation of MgKPO4·6H2O (the main hydration product in MKPC) was delayed with the addition of Zn2+, as discovered by the crystal characteristics, and because Zn2+ exhibited a lower binding energy in MgKPO4·6H2O compared to Mg2+, as revealed by DFT results. Additonally, Zn2+ had little influence on the structure of MgKPO4·6H2O, and Zn2+ existed in MKPC as the formation of Zn2(OH)PO4, which was decomposed in the range of around 190–350 °C. Moreover, there were a lot of well-crystallised tabular hydration products before the addition of Zn2+, but the matrix was comprised of irregular prism crystals after adding Zn2+. Furthermore, the leaching toxicity of Zn2+ of MKPC was much smaller than the requirements of Chinese and European standards.
TL;DR: The crystal structure of a cryptate complex of europium, C18H36O6N2Eu2(NO3)6·H2O, has been determined from three-dimensional single-crystal X-ray diffraction data collected on a computer-automated diffractometer.
Abstract: The crystal structure of a cryptate complex of europium, C18H36O6N2Eu2(NO3)6·H2O, has been determined from three-dimensional single-crystal X-ray diffraction data collected on a computer-automated diffractometer. The compound crystallizes in the triclinic space group P l with unit cell dimensions a = 14.815(5), b = 8.828(2), c = 13.302(4) A, α = 91.57(2), β = 92.64(3), γ = 86.90(3)° and Z = 2. The structure was solved by a heavy atom method and refined by a blocked-matrix least-squares procedure to a conventional R index of 0.029 for 5422 reflections. The molecule is composed of cations (C18H36O6EuNO3)2+ and anions [Eu(NO3)5· H2O]2−. In the cation, the europium(III) ion enclosed in a [2.2.2] molecule is coordinated with eight oxygen and two nitrogen atoms, forming a 10-coordinate complex ion (cryptate), while the other europium(III) ion is bonded to eleven oxygen atoms in the anion.
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TL;DR: A bimetallic, mixed-ligand metallocene/opened-crypt complex of Sm2+, [Sm(C16H32N2O6-κ2O:κ2 O')SmCp,''2], was obtained by KC8 reduction of Cp''2Sm(THF) [Cp'' = C5H3(SiMe3)2] in the presence of crypt.
21 citations
TL;DR: In this article, the crystal structures of two lanthanum(III) [2, 2, 2]cryptates were determined by the reaction of LaCl3 and La(CF3SO3)3 with a 2,2,2]cryptand.
17 citations
TL;DR: The reactivity of LnI2(THF)2 with 2.2.2-cryptand (crypt) was explored to see if these readily accessible precursors could provide new examples of lanthanide-in-crypt complexes.
Abstract: The reactivity of LnI2(THF)2 (Ln = Sm, Eu, Yb; THF = tetrahydrofuran) with 2.2.2-cryptand (crypt) was explored to see if these readily accessible precursors could provide new examples of lanthanide-in-crypt complexes. The crystallographically characterized Ln(II)-in-crypt complexes [Ln(crypt)(DMF)2][I]2 (Ln = Sm, Eu) and [Yb(crypt)(DMF)][I]2 (DMF = dimethylformamide) were synthesized by reacting LnI2(THF)2 (Ln = Sm, Eu, Yb) with crypt in THF and recrystallizing from DMF. Crystallographic data were also obtained on the Ln(II)-in-crypt (Ln = Sm, Eu) complexes [Ln(crypt)(DMF)2][BPh4]2, which were synthesized by addition of 2 equiv of NaBPh4 to [Ln(crypt)(DMF)2][I]2.
15 citations
TL;DR: The facile encapsulation of U(ii) and La(iii) by 2.2.2-cryptand (crypt) using simple starting materials is described.
10 citations
TL;DR: In this paper, the authors studied the reaction system [ScCl3(thf)3]−SbCl5-cryptand 222 (L), which is a possible route to scandium-III-cryptate complexation.
Abstract: The reaction system [ScCl3(thf)3]–SbCl5–cryptand 222 (L)(thf = tetrahydrofuran, cryptand 222 = 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane) has been studied as a possible route to scandium(III)–cryptate complexation. The compound [H2L]Cl2·ScCl3(H2O)3·3H2O 1 was isolated as yellow crystals. Microanalytical and spectroscopic (IR, 1H) data and a crystal-structure determination provided complete identification of 1. Crystals are monoclinic, space group C2/c with a= 29.008(14), b= 8.369(7), c= 26.356(14)A, β= 94.6(1)° and Z= 8. The molecular structure consists of discrete [H2L]2+ cations, two accompanying chloride anions, a molecule of [ScCl3(H2O)3] and three water molecules trapped in the lattice. The diprotonated di-endo cryptand cation binds two protons within the intramolecular cavity with an N ⋯ N separation of 6.34(4)A. The encapsulated protons are covalently bound to the nitrogen atoms and each NH centre is involved in weak intracavity hydrogen-bonding interactions with the three adjacent oxygen atoms [N ⋯ O 2.84(2)(two), 2.83(2)A and 2.74(2), 2.71(2), 2.72(2)A]. The structure of the molecular adduct [ScCl3(H2O)3] shows a central six-co-ordinate scandium atom with a near-idealised mer-octahedral geometry [mean Sc–Cl 2.417(7), mean Sc–O 2.122(14)A].
10 citations