Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines.
Victor V VolkovToby J BlundellStephen P ArgentCarole C PerryPublished in: Dalton transactions (Cambridge, England : 2003) (2023)
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.
Keyphrases
- raman spectroscopy
- ionic liquid
- high resolution
- molecularly imprinted
- metal organic framework
- optical coherence tomography
- label free
- room temperature
- dual energy
- molecular dynamics
- induced apoptosis
- high throughput
- computed tomography
- machine learning
- high speed
- deep learning
- single molecule
- staphylococcus aureus
- magnetic resonance imaging
- electronic health record
- cystic fibrosis
- cell cycle arrest
- monte carlo
- big data
- artificial intelligence
- endoplasmic reticulum stress
- drug discovery
- biofilm formation
- single cell
- cell proliferation
- electron microscopy
- liquid chromatography