Crystal Structure and Thermal Properties of SrC4H4O6·4H2O Single Crystals

Fukami, T.; Tahara, Shuta; Yasuda, Chitoshi; Nakasone, Keiko

doi:10.9734/irjpac/2016/23674

Cited by 7 publications

(13 citation statements)

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“…The hydrogen-bond geometry (in Å and degrees) is presented in Table 4. (2) 185 (9) 284 (10) 120 (8) 32 (7) -12(7) -26 (8) O(3) 0.6070(2) 0.2646(2) 0.4085 (2) 161 (7) 206 (7) 149 (7) -13(9) 10(6) -72 (6) O(4) 0.5586(2) -0.0593(2) 0.4695 (2) 173 (9) 138 (7) 131 (8) -10(6) 20 (7) 8 (6) O (5) (10) 140 (9) 133 (10) 5 (7) -28 (8) 14 (7) C ( The obtained crystal structure of BaC 4 H 4 O 6 is very similar to that previously reported by Silgo et al (1999), and very different from those of the CaC 4 H 4 O 6 ·4H 2 O and SrC 4 H 4 O 6 ·4H 2 O crystals because it does not contain any water molecules (Boese & Heinemann, 1993;Fukami et al, 2016c;Hawthorne et al, 1982). The fundamental features of the obtained structure are as follows.…”

Section: Crystal Structuresupporting

confidence: 70%

“…ydrogen bonds en bonds are in Thus, the bon ed on the prese ch does not fo robability-disp (Fukami et al, 2016c). As shown in Fig.…”

Section: Crystal Structurementioning

confidence: 78%

“…As shown in Fig. 1, there are zig-zag hydrogen-bonded chains along the c-axis, which consist of O(4)-H(2)···O (5) (Fukami et al, 2016b(Fukami et al, , 2016c. Thus, the torsional strain in the C 4 H 4 O 6 unit of BaC 4 H 4 O 6 is smaller than that in the strontium salt and most similar to that in the MDL-tartaric acid crystal.…”

Section: Crystal Structurementioning

confidence: 90%

“…The average Ba-O distance is 2.818 Å. The volume of the BaO 9 polyhedron (at the distance of 2.818 Å) is larger than those of the CaO 8 and SrO 8 dodecahedra (at average Ca-O and Sr-O distances of 2.455 and 2.594 Å, respectively) in the calcium and strontium salts (Boese & Heinemann, 1993;Fukami et al, 2016c;Hawthorne et al, 1982). This is probably because of the difference in ionic radius between Ba 2+ and Ca 2+ (or Sr 2 ) (b) 2 ) (a) 2 )…”

Section: Crystal Structurementioning

confidence: 99%

“…Many tartrate compounds are formed by the reaction of tartaric acid with compounds containing positive ions (two monovalent cations or one divalent cation) (Boese & Heinemann, 1993;Buschmann & Luger, 1985;Fukami, Hiyajyo, Tahara, & Yasuda, 2016a;Fukami et al, 2016c;Hawthorne, Borys, & Ferguson, 1982;Labutina, Marychev, Portnov, Somov, & Chuprunov, 2011;Silgo, Platas, Pérez, López, & Torres, 1999;Weil, 2015). These compounds are used in numerous industrial applications, for example, as transducers and in linear and non-linear mechanical devices because of their excellent dielectric, ferroelectric, piezoelectric, and nonlinear optical properties (Firdous et al, 2010;Kader et al, 1991;Torres et al, 2002).…”

Section: Introductionmentioning

confidence: 99%

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Thermal Properties and Crystal Structure of BaC4H4O6 Single Crystals

Fukami

Hiyajyo²,

Tahara³

et al. 2016

IJC

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Single crystals of barium L-tartrate, BaC 4 H 4 O 6 , were grown at 308 K by a gel method using silica gel as the growth medium. Differential scanning calorimetry, thermogravimetric-differential thermal analysis, and X-ray diffraction measurements were performed on the single crystals. The space group symmetry (orthorhombic, P2 1 2 1 2 1 ) and structural parameters were determined at room temperature. The crystal structure consisted of BaO 9 polyhedra, C 4 H 4 O 6 molecules, and zig-zag hydrogen-bonded chains along the a-and c-axes linked by O-H···O and C-H···O hydrogen bonds between adjacent molecules. Weight losses due to thermal decomposition of BaC 4 H 4 O 6 occurred in the temperature range of 450-1530 K. We suggest that the evolution of 2H 2 , 2CO, CO, (1/2)O 2 , and O 2 gases caused the observed weight losses and that the decomposition product, barium monocarbide BaC, formed a residue in the vessel.

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