Functionalization of SBA-15 mesoporous silica by Cu-phosphonate units: Probing of synthesis route
- Czestochowa University of Technology, Institute of Computational Intelligence, Al. Armii Krajowej 36, 42-201 Czestochowa (Poland)
- Czestochowa University of Technology, Institute of Physics, Al. Armii Krajowej 19, 42-201 Czestochowa (Poland)
Mesoporous silica SBA-15 containing propyl-copper phosphonate units was investigated. The structure of mesoporous samples was tested by N{sub 2} isothermal sorption (BET and BHJ analysis), TEM microscopy and X-Ray scattering. Quantitative analysis EDX has given information about proportions between component atoms in the sample. Quantitative elemental analysis has been carried out to support EDX. To examine bounding between copper atoms and phosphonic units the Raman spectroscopy was carried out. As a support of Raman scattering, the theoretical calculations were made based on density functional theory, with the B3LYP method. By comparison of the calculated vibrational spectra of the molecule with experimental results, distribution of the active units inside silica matrix has been determined. - Graphical abstract: The present study is devoted to mesoporous silica SBA-15 containing propyl-copper phosphonate units. The species were investigated to confirm of synthesis procedure correctness by the micro-Raman technique combined with DFT numerical simulations. Complementary research was carried out to test the structure of mesoporous samples. - Highlights: • SBA-15 silica functionalized with propyl-copper phosphonate units was synthesized. • Synthesis efficiency probed by Raman study supported with DFT simulations. • Homogenous distribution of active units was proved. • Synthesis route enables precise control of distance between copper ions.
- OSTI ID:
- 22451135
- Journal Information:
- Journal of Solid State Chemistry, Vol. 220; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
COMPUTERIZED SIMULATION
CONTROL
COPPER
COPPER IONS
DENSITY FUNCTIONAL METHOD
EFFICIENCY
MOLECULES
NANOSTRUCTURES
NANOTECHNOLOGY
PROBES
RAMAN EFFECT
RAMAN SPECTROSCOPY
SILICA
SORPTION
SPECTRA
SYNTHESIS
TRANSMISSION ELECTRON MICROSCOPY
X-RAY DIFFRACTION