SBA-15 mesoporous silica activated by metal ions – Verification of molecular structure on the basis of Raman spectroscopy supported by numerical simulations

Laskowska, Magdalena; Laskowski, Łukasz; Jelonkiewicz, Jerzy

doi:10.1016/j.molstruc.2015.07.007

Cited by 18 publications

(10 citation statements)

References 26 publications

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“…By combining the results of the visualization with potential energy distribution (PED) we obtained very accurate description of the molecules vibrations. The procedure was described in detail in [19].…”

Section: Methodsmentioning

confidence: 99%

Iron Doped SBA-15 Mesoporous Silica Studied by Mössbauer Spectroscopy

Laskowski

Laskowska

Jelonkiewicz

et al. 2016

Journal of Nanomaterials

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Mesoporous silica SBA-15 containing propyl-iron-phosphonate groups were considered to confirm their molecular structure. To detect the iron-containing group configuration the Mössbauer spectroscopy was used. Both mesoporous silica SBA-15 containing propyl-iron-phosphonate groups and pure doping agent (iron acetylacetate) were investigated using Mössbauer spectroscopy. The parameters such as isomer shift, quadrupole splitting, and asymmetry in57Fe Mössbauer spectra were analyzed. The differences in Mössbauer spectra were explained assuming different local surroundings of Fe nuclei. On this base we were able to conclude about activation of phosphonate units by iron ions and determinate the oxidation state of the metal ion. To examine bonding between iron atoms and phosphonic units the resonance Raman spectroscopy was applied. The density functional theory (DFT) approach was used to make adequate calculations. The distribution of active units inside silica matrix was estimated by comparison of calculated vibrational spectra with the experimental ones. Analysis of both Mössbauer and resonance Raman spectra seems to confirm the correctness of the synthesis procedure. Also EDX elemental analysis confirms our conclusions.

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Section: Methodsmentioning

confidence: 99%

Iron Doped SBA-15 Mesoporous Silica Studied by Mössbauer Spectroscopy

Laskowski

Laskowska

Jelonkiewicz

et al. 2016

Journal of Nanomaterials

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“…Similar characteristic modes method was applied previously for the characterization of powdered samples [14]. We performed quantum-chemicals simulations to obtain model, that could be used as a representative cluster model of SBA-15 silica containing propyl-copper-phosphonate unit and reference molecule -SBA-15 silica containing propyl-copper-phosphonic acid group.…”

Section: Computational Detailsmentioning

confidence: 99%

“…For testing the molecular structure the well-establish method -Raman spectroscopy supported by DFT simulations [12][13][14] were applied.…”

Section: Molecular Structure Probingmentioning

confidence: 99%

“…The most promising seems to be an application in the nanoelectronic industry [10,11], where the need of thin films with well-determined structural parameters (thickness, pores size, pores arrangement) and designed molecular structure (established distribution of copper-containing units) is desirable. However, unlike powder form, where determination of physical properties could be done in relatively easy way [12][13][14], thin films are challenging for investigation, especially as far as molecular structure is concerned. Many issues arise from the presence of the substrate, usually in the bulk form, what makes carrying out some of research impossible from the technological point of view.…”

Section: Introductionmentioning

confidence: 99%

“…It is worth noticing that procedure leading to characterization of the silica samples containing metal ions was worked out on the base of our previous research concerning the silica samples, obtained in the form of powder [12][13][14]20]. The results presented here are related to the SBA-15 silica containing anchored copper ions obtained in the form of thin films with hexagonally arranged pores oriented parallel to substrate's surface.…”

Section: Introductionmentioning

confidence: 99%

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