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Volkov, VV, Blundell, TJ, Argent, S and Perry, CC 
ORCID: https://orcid.org/0000-0003-1517-468X,
2023.
Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines.
Dalton Transactions.
ISSN 1477-9226
Abstract
Macroscopic scale hollow microcrystals are a promising group of materials for gas and liquid uptake as well as sensing. In this contribution we describe the structure of hollow hexagonal cross-section crystals formulated as salts of a silicon catecholate anion and a tetramethylenediamine (TEMED) cation. Using a combination of X-ray single crystal diffraction, Raman spectroscopy and quantum chemistry we explore the structural properties of the hollow microcrystals. With the X-ray structural data as a starting point and assisted with quantum chemistry we compute Raman tensors to fit polarisation sensitive spectral responses and predict the orientation and packing of unit cells in respect to the long and short axis of the synthesised microcrystals. Using these newly developed methods for predicting molecular Raman responses in space with dependence on local orientation, we present the quantitative analysis of experimental Raman images of both hexagonal and tetragonal cross section hollow microcrystals formed from silicon catecholate anions using different amines as counterions. We describe the distributions of chemical components at the surfaces and edges of microcrystals, address the effect of catcholate hydrophobicity on water uptake and discuss possible strategies in chemical and post-assembly modifications to widen the functional properties of this group of environmentally friendly silicon organic framework (SOF) materials.
| Item Type: | Journal article |
|---|---|
| Publication Title: | Dalton Transactions |
| Creators: | Volkov, V.V., Blundell, T.J., Argent, S. and Perry, C.C. |
| Publisher: | Royal Society of Chemistry |
| Date: | 4 May 2023 |
| ISSN: | 1477-9226 |
| Identifiers: | Number Type 10.1039/d3dt00856h DOI 1760204 Other |
| Divisions: | Schools > School of Science and Technology |
| Record created by: | Jonathan Gallacher |
| Date Added: | 11 May 2023 15:49 |
| Last Modified: | 11 May 2023 15:49 |
| URI: | https://irep.ntu.ac.uk/id/eprint/48939 |
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