Hydrogen Bonds in the Structure of BaC2O4.D2O.

Christensen, A. Nørlund; Niinistö, Lauri; Véber, M.; Korvola, Jorma; Niemi, V.; Sandström, Jan; Krogsgaard‐Larsen, Povl

doi:10.3891/acta.chem.scand.46-0240

Cited by 12 publications

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“…Barium oxalate forms four hydrates, of which hydrogen bonds have been studied of BaC 2 O 4 Á3.5D 2 O (Neder et al, 1997), BaC 2 O 4 Á2D 2 O (Christensen et al, 1995) and BaC 2 O 4 ÁD 2 O (Christensen, 1992) by neutron powder diffraction analysis. The crystal structure of the barium oxalate hemihydrate BaC 2 O 4 Á0.5H 2 O (Mutin et al, 1981) has been studied by single-crystal X-ray diffraction analysis.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄

Christensen

Hazell

2002

Acta Crystallogr Sect B

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The synthesis of BaC(2)O(4).0.5H(2)O and its thermal decomposition to alpha-BaC(2)O(4) and beta-BaC(2)O(4) was investigated. BaC(2)O(4).0.5H(2)O is precipitated at room temperature from aqueous solutions of barium chloride and ammonium oxalate. The deuterated compound BaC(2)O(4).0.5D(2)O was made in analogy with D(2)O as the solvent. The compounds were characterized by X-ray and neutron diffraction analysis. Single-crystal X-ray diffraction of BaC(2)O(4).0.5H(2)O measured at 120 K gave the triclinic cell a = 8.692 (1), b = 9.216 (1), c = 6.146 (1) A, alpha = 95.094 (3), beta = 95.492 (3), gamma = 64.500 (3) degrees, space group P1, Z = 4. Two independent Ba atoms are each coordinated to nine O atoms at distances from 2.73 (1) to 2.99 (1) A. One of the two oxalate ions deviates significantly from planarity. The water molecule does form weak hydrogen bonds. In situ X-ray powder diffraction was used to study the thermal decomposition of BaC(2)O(4).0.5H(2)O and the formation of alpha-BaC(2)O(4). The X-ray powder pattern of alpha-BaC(2)O(4) measured at 473 K was indexed on a triclinic cell with a = 5.137 (3), b = 8.764 (6), c = 9.006 (4) A, alpha = 83.57 (4), beta = 98.68 (5), gamma = 99.53 (5) degrees, and the space group P1 with Z = 4.

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Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄

Christensen

Hazell

2002

Acta Crystallogr Sect B

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Precision of a crystal structure derived from a synchrotron X-ray powder pattern. The structure of Barium oxalate hydrate, BaC2O4·2H2O

Christensen

Hazell

Bell

et al. 1995

Journal of Physics and Chemistry of Solids

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The crystal structure of barium oxalate hydrate, BaC204.2H20, was reinvestigated using a synchrotron X-ray powder pattern and a single crystal X-ray data set. The compound is monoclinic, a = 7.538(l), b = 11.062(l), c = 7.105(1) A, 0 = 105.42(l)", space group P21/c, with Z = 4. The precision of the structure arrived at with the synchrotron X-ray powder pattern is not as high as that obtained with the single crystal X-ray data. The barium atoms are bonded to the. oxalate ions and to the water molecules with nine barium oxygen-bonds in the range 2.71(l)-2.97(l)A. The structure has hydrogen bonds in the range 2.72(2)-2,91(2)A, and the oxalate ion has only a minor deviation from planarity.

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Thermally induced phase transitions of barium oxalates

Christensen¹,

Arnbjerg

DiMasi

et al. 2011

Solid State Sciences

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Hydrogen Bonds in the Structure of BaC2O4.D2O.

Cited by 12 publications

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Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄

Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄

Precision of a crystal structure derived from a synchrotron X-ray powder pattern. The structure of Barium oxalate hydrate, BaC2O4·2H2O

Thermally induced phase transitions of barium oxalates

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Hydrogen Bonds in the Structure of BaC2O4.D2O.

Cited by 12 publications

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Synthesis and characterization of the barium oxalates BaC2O4·0.5H2O, α-BaC2O4 and β-BaC2O4

Synthesis and characterization of the barium oxalates BaC2O4·0.5H2O, α-BaC2O4 and β-BaC2O4

Precision of a crystal structure derived from a synchrotron X-ray powder pattern. The structure of Barium oxalate hydrate, BaC2O4·2H2O

Thermally induced phase transitions of barium oxalates

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Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄

Synthesis and characterization of the barium oxalates BaC₂O₄·0.5H₂O, α-BaC₂O₄ and β-BaC₂O₄