Thermal Properties and Crystal Structure of BaC4H4O6 Single Crystals

Abstract

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.

Crystal Structures and Thermal Properties of L-MnC4H4O6•2H2O and DL-MnC4H4O6•2H2O

“…The weight losses in the TG curve are thought to be caused by the evolution of gases from the sample, similar to previous reports (Fukami, Hiyajyo, Tahara, & Yasuda, 2017a;Fukami, Hiyajyo, Tahara, & Yasuda, 2017b;Fukami & Tahara, 2018;Fukami, Tahara, Yasuda, & Nakasone, 2016). We assume that two bound H 2 O molecules within the crystals (having the same chemical formula) are evaporated with increasing temperature.…”

“…Moreover, one of the C 4 H 4 O 6 molecules in DL-tartaric acid is presumed to vary from the trans-like-form to the cis-like-form during the growth of the DL-MnC 4 H 4 O 6 • 2H 2 O crystals, because DL-tartaric acid is a mixture of L-tartaric and D-tartaric acid (relating to mirror symmetry) in the same amount, and the C 4 H 6 O 6 molecules in the DL-tartaric acid crystal have the trans-like-form (Fukami, Tahara, Yasuda, & Nakasone, 2016). The C 4 H 4 O 6 molecule having the cis-like-form has not been found in the crystal structures of other tartaric salts (Fukami, Hiyajyo, Tahara, & Yasuda, 2017a;Fukami, Hiyajyo, Tahara, & Yasuda, 2017b;Fukami, & Tahara, 2018;Fukami, Tahara, Yasuda, & Nakasone, 2016;Song, Teng, Dong, Ma, & Sun, 2006). Figure 3 shows the TG, differential TG (DTG), and DTA curves for the L-and DL-MnC 4 H 4 O 6 • 2H 2 O crystals in the temperature range of 300-1470 K. The sample weights (powder) of the L-and DL-MnC 4 H 4 O 6 • 2H 2 O crystals used for the measurements were 4.03 and 4.94 mg, respectively.…”

“…Many tartrate compounds are formed by reacting tartaric acid with compounds containing positive ions (two monovalent cations or one divalent cation) (Desai & Patel, 1988;Fukami, Hiyajyo, Tahara, & Yasuda, 2017a;Fukami, Hiyajyo, Tahara, & Yasuda, 2017b;Fukami & Tahara, 2018;Labutina, Marychev, Portnov, Somov, & Chuprunov, 2011). Tartaric acid (chemical formula: C 4 H 6 O 6 ; systematic name: 2,3-dihydroxybutanedioic acid) has two chiral carbon atoms in its structure, which provides the possibility for four possible different forms of chiral, racemic, and achiral isomers: L(+)-tartaric, D(-)-tartaric, racemic (DL-) tartaric, and meso-tartaric acid (Bootsma & Schoone, 1967;Fukami, Tahara, Yasuda, & Nakasone, 2016;Song, Teng, Dong, Ma, & Sun, 2006).…”

Structural and Thermal Investigations of L-CuC4H4O6·3H2O and DL-CuC4H4O6·2H2O Single Crystals

“…Many tartrate compounds are formed by the reaction of tartaric acid with compounds containing positive ions (i.e., two monovalent cations or one divalent cation) (Desai & Patel, 1988;Fukami, Hiyajyo, Tahara, & Yasuda, 2017;Fukami & Tahara, 2018;Fukami & Tahara, 2020;Labutina, Marychev, Portnov, Somov, & Chuprunov, 2011). Tartaric acid (chemical formula: C 4 H 6 O 6 ; systematic name: 2,3-dihydroxybutanedioic acid) has two chiral carbon atoms in its structure, which provides the possibility for four possible different forms of chiral, racemic, and achiral isomers: L(+)-tartaric, D(-)-tartaric, racemic (DL-) tartaric, and meso-tartaric acid (Bootsma & Schoone, 1967;Fukami, Tahara, Yasuda, & Nakasone, 2016;Song, Teng, Dong, Ma, & Sun, 2006).…”

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

“…Many tartrate compounds are formed by the reaction of tartaric acid (chemical formula: C 4 H 6 O 6 ; systematic name: 2,3dihydroxybutanedioic acid) with compounds containing positive ions (two monovalent cations or one divalent cation) [1][2][3][4][5][6]. Tartaric acid has two chiral carbon atoms in its structure, which provides the possibility for four possible different forms of chiral, racemic, and achiral isomers: L(+)-tartaric, D(-)-tartaric, racemic (DL-) tartaric, and meso-tartaric acid [6][7][8].…”