TOPOLOGY OF VOIDS AND CHANNELS IN SELECTED PORPHYRINIC COMPOUNDS

Published

December 1, 2019

Author(s)

Lawrence P. Cook, Greg Brewer, Daniel Siderius, Winnie Wong-Ng

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

https://doi.org/10.1017/S0885715619000770

Local Download

Keywords

Porphyrins, topology, voids, channels, Porphyrin crystal structure survey

Citation

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 October 10, 2025)