Cook, L.
, Brewer, G.
, Siderius, D.
and Wong-Ng, W.
(2019),
TOPOLOGY OF VOIDS AND CHANNELS IN SELECTED PORPHYRINIC COMPOUNDS, Powder Diffraction, [online], https://doi.org/10.1017/S0885715619000770, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=928548
(Accessed April 18, 2024)
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TOPOLOGY OF VOIDS AND CHANNELS IN SELECTED PORPHYRINIC COMPOUNDS
Published
Author(s)
Lawrence P. Cook, Greg Brewer, ,
Abstract
Porphyrinic compounds are of increasing interest to the materials science community, yet little attention has been paid to crystallographically controlled voids and channels in these materials. We have conducted an initial survey of the voids and channels in a random subset of 1000 porphyrinic compounds with known crystal structures. By calculations using a rolling-probe subroutine, we have found that about 5% of these compounds have line-of-sight channels, which differ in their topology depending on the crystallography. A small but significant number of porphyrinic compounds have calculated void contents of > 50 volume %. We discuss in detail the void and channel characteristics of four representative compounds, including technological implications.Citation
Powder Diffraction
Volume
34
Issue
4
Pub Type
Journals
Download Paper
Keywords
Porphyrins, topology, voids, channels, Porphyrin crystal structure survey
Citation
Created November 30, 2019, Updated October 12, 2021