Isotope effects in the bonds of α-CrOOH and α-CrOOD

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Abstract

Samples of rhombohedral chromium oxide hydroxide, α-CrOOH, and the deuterated compound, α-CrOOD, were prepared hydrothermally. The crystal structures were determined by powder profile refinement technique using neutron diffraction data. The crystallographic data are: α-CrOOH: a = 2.979(5)Å, c = 13.37(2)Å, z = 3, space group R3m (No. 166). α-CrOOD: a = 2.985(4)Å, c = 13.48(3)Å, z = 3, space group R3m (No. 160). Distances found for the hydrogen (deuterium) atoms are: OD···O: 2.57(2) Å; OD: 1.05(2) Å; OH···O: 2.47(1) Å; and OH: 1.16(1) Å, showing large isotope effects.

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