Direct air capture of CO­2 – topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH2)(CO3)(H2O)4

Gianopoulos, C.G.; Chua, Z.; Zhurov, V.V.; Seipp, C.A.; Wang, X.; Custelcean, R.; Pinkerton, A.A.

doi:10.1107/S2052252518014616

Figure 6
Deformation density (a) in the plane of the dication and (b) in the plane of the anion. Blue contours are positive density and red ones are negative. The contour level is 0.10 e Å⁻³. (c) The anion deformation density iso-surface at 0.15 e Å⁻³.

IUCrJ

Volume 6| Part 1| January 2019| Pages 56-65

ISSN: 2052-2525

https://doi.org/10.1107/S2052252518014616

CHEMISTRY | CRYSTENG

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