Phase selection and energetics in chiral alkaline earth tartrates and their racemic and meso analogues: synthetic, structural, computational, and calorimetric studies

…, P Simoncic, A Navrotsky, M Parrinello…

Index: Appelhans, Leah N.; Kosa, Monica; Radha; Simoncic, Petra; Navrotsky, Alexandra; Parrinello, Michele; Cheetham, Anthony K. Journal of the American Chemical Society, 2009 , vol. 131, # 42 p. 15375 - 15386

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Citation Number: 58

Abstract

The hydrothermal reactions of calcium, strontium, and barium with l-, meso-, and d, l-tartaric acid were examined from room temperature to 220° C. We report the synthesis of 13 new phases and crystal structures of 11 alkaline earth tartrates, including an unusual I3O0 framework,[Ba (d, l-Tar)](Tar= C4H4O62−), with 3-D inorganic connectivity. Each alkaline earth exhibits different phase behavior in the reactions with the three forms of tartaric acid. ...