The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Safety of 5-Bromobenzo[d][1,3]dioxole, 2635-13-4, Name is 5-Bromobenzo[d][1,3]dioxole, SMILES is BrC1=CC=C(OCO2)C2=C1, in an article , author is Li, Meng-Yue, once mentioned of 2635-13-4.
Combined experimental and theoretical investigations of Ba3GaS4I: interesting structural transformation originated from halogen substitution
Inorganic chalcohalides have emerged as promising functional materials for a range of applications. However, most of them are chlorides and bromides, while iodides are still rare. Herein, a new quaternary iodine-based chalcohalide Ba3GaS4I has been acquired by the reaction of BaS, Ga, S and BaI2 at 1173 K. Single-crystal XRD analysis reveals that Ba3GaS4I has a centrosymmetric structure (orthorhombic, space group Cmcm, a = 6.991(3) angstrom, b = 15.910(7) angstrom, c = 9.698(4) angstrom, V = 1078.6(7) angstrom(3), and Z = 4) and consists of isolated [GaS4] tetrahedra with charge-balanced Ba2+ cations and I- anions. Ba3GaS4I can be regarded as the product of chemical substitution of Ba3GaS4X (X = Cl, Br), which adopts a different space group, Pnma. The influences of the halogen elements on the bandgap and birefringence have been discussed through first principles calculations and structural comparison.
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