Fig. 5: Geometry of a protonated \({[{{\rm{CO}}}_{4}]}^{4-}\)-tetrahedron and eigenvectors of the atomic displacements of selected characteristic Raman modes. | Communications Chemistry

Fig. 5: Geometry of a protonated \({[{{\rm{CO}}}_{4}]}^{4-}\)-tetrahedron and eigenvectors of the atomic displacements of selected characteristic Raman modes.

From: Synthesis and characterization of crystalline polymeric carbonic acid (H2CO3) with sp3-hybridized carbon at elevated pressures

Fig. 5

a Geometry of one protonated \({[{{\rm{CO}}}_{4}]}^{4-}\)-tetrahedron in the crystal structure of H2CO3-Cmc21 from single crystal structure refinement at 40(2) GPa. Eigenvector of the atomic displacements in polymeric carbonic acid for the characteristic Raman mode b at  ≈820 cm−1 and c at  ≈910 cm−1 from DFPT calculations.

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