Replication data for: "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity"

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Itzigehl, Selina; Ott, Tom; Ströhle, Anne-Kathrin; Nguyen, Hoang-Huy; Roham Talei Jeid; Ay, Nağme; Terban, Maxwell; Dyballa, Michael; Schmitz, Guido; Estes, Deven; Bruckner, Johanna R., 2026, "Replication data for: "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity"", https://doi.org/10.18419/DARUS-5164, DaRUS, V1, UNF:6:Cznj/4TwbYhva1j9oY94ew== [fileUNF]

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Description	This dataset contains all primary and/or processed data underlying the publication "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity". The publication reports the synthesis and characterization of ordered mesoporous aluminosilicates by direct liquid crystal templating. Take a look at the publication Data files are grouped by measurement method, including (but not limited to): ²⁷Al solid state NMR Total scattering and pair distribution function (PDF) Nitrogen physisorption Pyridine-loaded FTIR spectroscopy (Py-FTIR) Small-angle X-ray scattering (SAXS) Sample names follow the denomination: `OMAS_x/1_Tyy` — where OMAS = ordered mesoporous aluminosilicate; x/1 = molar Si/Al ratio; Tyy = polycondensation temperature in °C. `OMS_Tyy` — where OMS = ordered mesoporous silica; Tyy = polycondensation temperature in °C. These datasets support the analysis of how aluminum content and polycondensation temperature influence structural order, pore size, and surface acidity in OMAS. (2025-08-13)
Subject	Chemistry
Keyword	Ordered Mesoporous Aluminosilicates, Surface Acidity, Small-Angle X-Ray Scattering, Physisorption, FT-IR (Fourier-Transform Infrared Spectroscopy), Direct Liquid Crystal Templating, Al-SBA-15 (Mesoporous Silica Material)
Related Publication	Is Supplement To: S. Itzigehl, T. Ott, A.-K. Ströhle, H.-H. Nguyen, R. Talei, N. Ay, M. W. Terban, M. Dyballa, G. Schmitz, D. P. Estes, and J. R. Bruckner. Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity. Microporous and Mesoporous Materials 2026 (402) 113991.doi: 10.1016/j.micromeso.2025.113991
License/Data Use Agreement	CC BY 4.0

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	README.md Markdown Text - 1.7 KB Published Jan 8, 2026 23 Downloads MD5: 40af7b025e1eec7f4fc04cf22ee26ea9	Preview "README.md" Access File File Access Public Download Options Markdown Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	README.md data/Markdown Text - 2.7 KB Published Jan 8, 2026 23 Downloads MD5: 47fe61a8c8d052dab5cf2835c8abd6b7	Preview "data/README.md" Access File File Access Public Download Options Markdown Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_5-1_Tx_norm.pdf data/27AL NMR/Adobe PDF - 21.2 KB Published Jan 8, 2026 24 Downloads MD5: 7ff220bb1436d3065a34e8308f60d6e8 27Al MAS NMR measurements of OMAS_5/1 prepared at different polycondensation temperatures --PDF--	Preview "data/27AL NMR/27AlNMR_OMAS_5-1_Tx_norm.pdf" Access File File Access Public Download Options Adobe PDF Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_5-1_Tx_norm.png data/27AL NMR/PNG Image - 268.1 KB Published Jan 8, 2026 25 Downloads MD5: d8db7a5c4a1691511d5b85d8162e1eb6 27Al MAS NMR measurements of OMAS_5/1 prepared at different polycondensation temperatures --PNG--	Preview "data/27AL NMR/27AlNMR_OMAS_5-1_Tx_norm.png" Access File File Access Public Download Options PNG Image Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_5-1_Tx_norm.svg data/27AL NMR/SVG Image - 42.3 KB Published Jan 8, 2026 23 Downloads MD5: 11e986c763c2d30127c51c0d92f336de 27Al MAS NMR measurements of OMAS_5/1 prepared at different polycondensation temperatures --SVG--	Access File File Access Public Download Options SVG Image Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_x_T80_norm.pdf data/27AL NMR/Adobe PDF - 25.1 KB Published Jan 8, 2026 25 Downloads MD5: 96a9d47cde7ed422de73a774866bd641 27Al MAS NMR measurements of OMAS with different nSi/nAl, prepared at a polycondensation temperature of 80 °C --PDF--	Preview "data/27AL NMR/27AlNMR_OMAS_x_T80_norm.pdf" Access File File Access Public Download Options Adobe PDF Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_x_T80_norm.png data/27AL NMR/PNG Image - 338.9 KB Published Jan 8, 2026 25 Downloads MD5: 6758623b9d24590494cf457fc482a5f9 27Al MAS NMR measurements of OMAS with different nSi/nAl, prepared at a polycondensation temperature of 80 °C --PNG--	Preview "data/27AL NMR/27AlNMR_OMAS_x_T80_norm.png" Access File File Access Public Download Options PNG Image Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	27AlNMR_OMAS_x_T80_norm.svg data/27AL NMR/SVG Image - 54.0 KB Published Jan 8, 2026 23 Downloads MD5: 1aea0a9ecfdb07a65cfe175d2a1685b7 27Al MAS NMR measurements of OMAS with different nSi/nAl, prepared at a polycondensation temperature of 80 °C --SVG--	Access File File Access Public Download Options SVG Image Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	NMR_OMAS_10-1.txt data/27AL NMR/Plain Text - 309.4 KB Published Jan 8, 2026 24 Downloads MD5: a38c635923d3788093032225d05d9c19	Preview "data/27AL NMR/NMR_OMAS_10-1.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	NMR_OMAS_20-1.txt data/27AL NMR/Plain Text - 308.6 KB Published Jan 8, 2026 24 Downloads MD5: 0e1ad08e24e4278d49d9eac5e2c796bc	Preview "data/27AL NMR/NMR_OMAS_20-1.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX

Citation Metadata

Persistent Identifier	doi:10.18419/DARUS-5164
Publication Date	2026-01-08
Title	Replication data for: "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity"
Author	https://ror.org/04vnq7t77https://orcid.org/0000-0003-0311-5930 https://ror.org/04vnq7t77https://orcid.org/0009-0003-5104-7212 Ströhle, Anne-Kathrinhttps://ror.org/04vnq7t77 https://ror.org/04vnq7t770009-0008-9200-3618 https://ror.org/04vnq7t77https://orcid.org/0009-0000-6963-0201 https://ror.org/04vnq7t77https://orcid.org/0009-0008-6224-8219 Momentum Transferhttps://orcid.org/0000-0002-7094-1266 https://ror.org/04vnq7t77https://orcid.org/0000-0002-8883-1145 https://ror.org/04vnq7t77https://orcid.org/0000-0002-3642-1195 https://ror.org/04vnq7t77https://orcid.org/0000-0002-3215-3461 https://ror.org/04vnq7t77https://orcid.org/0000-0001-7183-6532
Point of Contact	Use email button above to contact. Bruckner, Johanna R.University of Stuttgart
Description	This dataset contains all primary and/or processed data underlying the publication "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity". The publication reports the synthesis and characterization of ordered mesoporous aluminosilicates by direct liquid crystal templating. Take a look at the publication Data files are grouped by measurement method, including (but not limited to): ²⁷Al solid state NMR Total scattering and pair distribution function (PDF) Nitrogen physisorption Pyridine-loaded FTIR spectroscopy (Py-FTIR) Small-angle X-ray scattering (SAXS) Sample names follow the denomination: `OMAS_x/1_Tyy` — where OMAS = ordered mesoporous aluminosilicate; x/1 = molar Si/Al ratio; Tyy = polycondensation temperature in °C. `OMS_Tyy` — where OMS = ordered mesoporous silica; Tyy = polycondensation temperature in °C. These datasets support the analysis of how aluminum content and polycondensation temperature influence structural order, pore size, and surface acidity in OMAS. (2025-08-13)
Subject	Chemistry
Keyword	Ordered Mesoporous Aluminosilicates Surface Acidity Small-Angle X-Ray Scattering http://id.loc.gov/authorities/subjects/sh87007950 (LCSH) Physisorption http://www.wikidata.org/entity/Q354417 (Wikidata) FT-IR (Fourier-Transform Infrared Spectroscopy) http://purl.obolibrary.org/obo/CHMO_0000636 (chmo) Direct Liquid Crystal Templating Al-SBA-15 (Mesoporous Silica Material)
Topic Classification	Inorganic Molecular Chemistry - Synthesis and Characterisation (DFGFO) https://w3id.org/dfgfo/2024/311-01 Materials Science (DFGFO) https://w3id.org/dfgfo/2024/432 Catalysis (ChEBI) https://www.ebi.ac.uk/chebi Porous Materials (ChEBI) https://www.ebi.ec.uk/chebi Nanostructured Materials (ChEBI) https://www.ebi.ec.uk/chebi
Related Publication	Is Supplement To: S. Itzigehl, T. Ott, A.-K. Ströhle, H.-H. Nguyen, R. Talei, N. Ay, M. W. Terban, M. Dyballa, G. Schmitz, D. P. Estes, and J. R. Bruckner. Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity. Microporous and Mesoporous Materials 2026 (402) 113991. doi 10.1016/j.micromeso.2025.113991 https://doi.org/10.1016/j.micromeso.2025.113991
Language	English
Production Location	University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
Contributor	Related Person
Project	Mesoporous metallo-silicates with defined electronic and geometric properties: A combined experiment-theory approach SFB 1333; TP A04-1 (Level 1) 22913471
Funding Information	DFG: 358283783 - SFB 1333 Ministry of Science, Research and the Arts Baden-Württemberg: Ministry of Science, Research and the Arts Baden-Württemberg Dr. Leni Schöninger Foundation: Dr. Leni Schöninger Foundation
Depositor	Itzigehl, Selina
Deposit Date	2025-07-16
Data Type	experimental data - 27Al MAS NMR (solid-state 27Al MAS NMR spectroscopy data); experimental data - STEM-EDXS (scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy maps and composition tables); experimental data - ICP-OES (indictively coupled plasma optical emission spectroscopy results for bulk Si/Al composition; experimental data - Physisorption (N2 physisorption isotherm, BET surface area, pore size distribution); experimental data - Py-FTIR (pyridine adsorption FTIR spectra for Brønsted/Lewis acidity quantification); experimental data - SAXS (small-angle X-ray scattering raw and deconvoluted data); experimental data - SEM (scanning electron microscopy images and parameters); experimental data - TEM (transmission electron microscopy images); experimental data - titration (conductometric acid site tritration data and calculated acid site concentrations)
Software	SAXSquant (Anton Paar) Bruker TopSpin Qunatachrome ASiQwin Python, Version: 3.10.8
Did it work?	Yes
Explanation	The direct liquid crystal templating synthesis successfully produced ordered mesoporous aluminosilicates (OMAS) with tunable acidity and well-defined mesostructural order. The planned variation of aluminum content and polycondensation temperature yielded clear, reproducible trends.

Process Metadata

Processing Methods	27Al MAS NMR (Characterization of aluminum coordination geometries in OMAS samples using solid-state MAS NMR) ; Parameters: Resonance frequency: 104.3 MHz; Rotor: 4 mm; MAS speed: 8 kHz; Pulse angle: π/8; Recycle delay: 0.5 s ICP-OES (Quantification of bulk Si/Al ratios using ICP-OES after acid digestion) ; Parameters: HF conc.: 10 %; Aqua regia volume: 6 mL; Temperature: 200 °C; Final volume: 250 mL Pair distribution function (PDF) (Total scattering and high-resolution synchrotron X-ray diffraction for PDF extraction and bond distance analysis.) ; Parameters: X-ray energy: 75.60 keV; λ = 0.1653 Å; Detector: Pilatus CdTe 2M; Sample-detector distances: 1.5 m / 0.3 m; Qmax: 30 nm⁻¹ Nitrogen physisorption (BET/NLDFT) (Determination of surface area and pore size distribution from N₂ adsorption isotherms at 77 K.) ; Parameters: Degassing: 200 °C for 16 h; PSD method: NLDFT adsorption branch Pyridine adsorption FTIR (Quantification of Lewis and Brønsted acid sites by FTIR after pyridine adsorption/desorption cycles.) ; Parameters: Resolution: 4 cm⁻¹; Scans per spectrum: 32; Temperature range: 150–450 °C; Step: 50 °C; Hold time: 1 h SAXS deconvolution and background correction (Characterization of mesostructural order and lattice parameters via SAXS.) ; Parameters: X-rays: Cu Kα (λ = 1.5428 Å); Tube voltage: 40 kV; Tube current: 40 mA; Detector: 1D CMOS SEM imaging (Imaging of particle morphology at high resolution.) ; Parameters: Accelerating voltage: 20 kV; WD ≈ 12 nm STEM-EDXS mapping (Imaging pore structures and elemental distribution at nanometer resolution.) ; Parameters: Accelerating voltage: 300 kV Conductometric titration (Quantification of acid site density by NaOH titration under N₂ atmosphere.) ; Parameters: Sample mass: 0.1 g; Water volume: 90 mL; Initial pH: 2; Titrant: 0.01 M NaOH; Step size: 0.1 mL
Method Parameters	MAS rotor diameter (d_rotor) [mm] : 4 MAS spin speed (v_MAS) [kHz] : 8 Resonance frequency (ν_0) [MHz] : 104.3 Recycle delay (τ_d) [s] : 0.5 Degassing temperature (T_deg) [°C] : 200 Degassing time (t_deg) [h] : 16 FTIR resolution (Δν) [cm⁻¹] : 4 FTIR scans per spectrum (n_scans) : 32 SAXS voltage (U_a) [kV] : 40 SAXS current (I_a) [mA] : 40 Nitrogen adsorption temperature (T_ads) [K] : 77 Conductometric titrant concentration (c_titrant) [mol L⁻¹] : 0.01
Software	SAXSquant (https://www.anton-paar.com) Proprietary TopSpin (https://bruker.com) Proprietary AsiQwin (https://www.quantachrome.com) Proprietary pyFAI (https://pyfai.readthedocs.io) GPL (Jérôme Kieffer and Dimitrios Karkoulis. 2013. PyFAI, a versatile library for azimuthal regrouping. J. Phys.: Conf. Ser. 425 202012. doi: 10.1088/1742-6596/425/20/202012)
Instruments	Avance III 400 WB (Bruker) (Solid-state NMR spectrometer, 400 MHz) , Version: Avance III 400 WB , Software: TopSpin , Location: Institute of Technical Chemistry AVIO200 (Perkin Elmer) (ICP-OES spectrometer) , Version: AVIO200 , Location: Institute of Technical Chemistry ESRF ID31 beamline (Synchrotron beamline for high-resolution and total scattering) , Software: pyFAI , Location: European Synchrotron Facility, Grenoble Autosorb 3b (Quantachrome Instruments) (N2 physisorption analyzer) , Version: Autosorb 3b , Software: AsiQwin , Location: Institute of Technical Chemsitry Nicolet 3B (thermo Fisher Scientific) (FTIR spectrometer) , Version: Nicolet 3B , Software: OMNIC , Location: Institute of Technical Chemstry SAXSess mc² (Anton Paar) (SAXS instrument) , Version: SAXSess mc² , Software: SAXSquant , Location: Institute of Physical Chemistry EVO 15 (Zeiss) (SEM) , Version: EVO 15 , Software: SmarSEM , Location: AMiCA Spectra 300 FEG (ThermoFisher) (STEM with EDXS) , Version: Spectra 300 FEG , Software: Velox , Location: AMiCA WTW-series (InoLab) (Conductometer for acid site titration) , Location: Institute of Physical Chemistry
Processing Steps	Postprocessing ; Methods: SAXS measurements ; Software: SAXSquant ; Instruments: SAXSess mc² ; Environment: local ; Input: SAXS raw (.pdh) ; Output: SAXS desmeared (.pdh) Analysis ; Methods: BET/NLDFT ; Software: AsiQwin ; Instruments: Autosorb 3b ; Environment: local Analysis ; Methods: FTIR acid site quantification ; Software: Python scripts ; Instruments: Nicolet IS10 ; Environment: local ; Input: spectra (.csv) ; Output: peak areas, acid sites, errors, etc. (.JSON)

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Curation Status History

Status	Date	Assigner
	2026-01-08 14:34:39	Johanna Bruckner
Waiting for Feedback from Author	2025-12-18 14:59:07	Dorothea Iglezakis
In Review by FoKUS	2025-12-17 11:04:14	Dorothea Iglezakis

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