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RESULT PAGE

organically modified dioctahedral smectite clay with long-chain aliphatic amide/ester modifier

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Result No.: 20260417114433479869516 Owner: debolina Comments: 0
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260417114433479869516 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

organically modified dioctahedral smectite clay with long-chain aliphatic amide/ester modifier

Moderate confidence
Conclusion
  1. The combination of inorganic clay bands (Al O-H, Si–O) and organic amide/ester bands on the same sample indicates a composite material, not a pure organic.
  2. reference library comparison pattern clusters among long-chain amides and methacrylate/ester-rich materials, with the top match being tetradecanamide, consistent with the organic fraction.
  3. Direct peak evidence attributes the 683 cm⁻¹ band to Al O-H in aluminosilicate clays [2], and the 820 cm⁻¹ region to both aromatic C–H deformation and aluminosilicate Al O-H bending.
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
Tetradecanamide #29857
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. The infrared spectrum exhibits bands characteristic of a dioctahedral aluminosilicate smectite clay mineral (e.g., Al O-H bending at 683 and 913 cm⁻¹, external tetrahedral Si-O vibrations near 745 cm⁻¹) superimposed with strong organic absorptions. The organic contribution displays long-chain aliphatic C–H stretches at 2919 and 2850 cm⁻¹, an ester carbonyl at 1740 cm⁻¹, amide I and II bands at 1642 and 1549 cm⁻¹, and aromatic C–H out-of-plane modes at 704 and 722 cm⁻¹. This pattern is most consistent with an organically modified clay, where the organic modifier bears amide and ester (methacrylate/methoxy) functionality, aligning with the moderate library match to a tetradecanamide-like pattern and the Top‑15 consensus of methoxy/methacrylate chemistry.
Limitations

Evidence that limits the conclusion

  • The presence of a strong ester carbonyl at 1740 cm⁻¹ contradicts a pure tetradecanamide identification, which would exhibit amide C=O at lower frequency (≈1650 cm⁻¹) and lack a distinct ester band.
  • The dominant clay mineral absorptions are not represented in the library's top organic candidates, indicating that the organic hit describes only the modifier fraction.
  • The exact chemical structure of the organic modifier (e.g., a specific methacrylate polymer, a fatty acid amide mixture, or a plasticizer) cannot be conclusively determined from the FTIR data alone.
  • Band overlap in the C–O/Si–O region (≈1000–1100 cm⁻¹) prevents clear differentiation between clay silicate and organic ether/ester C–O contributions.
Recommendation

Suggested next verification

  • Perform X-ray diffraction (XRD) to identify the clay mineral type and confirm the smectite structure.
  • Conduct thermogravimetric analysis (TGA) or solvent extraction to isolate the organic modifier for separate identification by GC‑MS or NMR.
  • Acquire a higher-resolution IR spectrum or use spectral subtraction with a pure clay spectrum to resolve overlapping organic and inorganic bands.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 1740 0.93 Literature-supported assignment The band at 1740 cm-1 is assigned to ester. [6] High confidence
2 ★ 2919 0.83 Literature-supported assignment The band at 2919 cm-1 is assigned to alkyl C-H vibration. [8] High confidence
3 ★ 1642 0.77 Literature-supported assignment The band at 1642 cm-1 is assigned to amide. [5] High confidence
4 ★ 2850 0.61 Literature-supported assignment The band at 2850 cm-1 is assigned to alkyl C-H vibration. [7] High confidence
5 · 692 0.44 - - - -
6 · 675 0.42 - - - -
7 · 683 0.41 - - - -
8 · 1160 0.41 - - - -
9 · 722 0.41 - - - -
10 · 704 0.40 - - - -
11 · 3419 0.38 - - - -
12 · 3386 0.37 - - - -
13 · 3446 0.36 - - - -
14 · 3231 0.36 - - - -
15 ★ 745 0.35 Literature-supported assignment The band at 745 cm-1 is assigned to external tetrahedral. [1] Low confidence
16 · 3268 0.35 - - - -
17 · 1096 0.34 - - - -
18 · 3502 0.34 - - - -
19 · 3289 0.33 - - - -
20 · 3526 0.33 - - - -
21 · 3458 0.33 - - - -
22 · 763 0.33 - - - -
23 · 3481 0.32 - - - -
24 · 754 0.32 - - - -
25 · 3509 0.32 - - - -
26 · 3313 0.31 - - - -
27 · 781 0.31 - - - -
28 · 3304 0.30 - - - -
29 · 788 0.30 - - - -
30 · 1549 0.28 - - - -
31 · 1462 0.28 - - - -
32 · 810 0.28 - - - -
33 · 820 0.28 - - - -
34 · 835 0.27 - - - -
35 ★ 1032 0.27 Literature-supported assignment The band at 1032 cm-1 is assigned to C-O single-bond vibration. [4] Low confidence
36 · 847 0.25 - - - -
37 · 867 0.23 - - - -
38 · 974 0.16 - - - -
39 · 913 0.15 - - - -
40 · 1237 0.15 - - - -
41 · 2164 0.14 - - - -
42 · 2037 0.13 - - - -
43 · 2174 0.13 - - - -
44 · 1930 0.12 - - - -
45 · 2044 0.12 - - - -
46 · 2016 0.12 - - - -
47 · 2024 0.12 - - - -
48 · 1990 0.12 - - - -
49 · 2072 0.11 - - - -
50 · 2150 0.11 - - - -
51 · 1945 0.11 - - - -
52 · 2128 0.11 - - - -
53 · 2108 0.11 - - - -
54 · 2087 0.11 - - - -
55 · 2064 0.10 - - - -
56 · 2054 0.10 - - - -
57 · 2208 0.10 - - - -
58 · 1965 0.10 - - - -
Literature

References

No. Title DOI Page
[1] Naseem 等 - 2020 - Mesoporous ZnAl2Si10O24 nanofertilizers enable hig 10.1038/s41598-020-67611-4 -
[2] Zviagina 等 - 2020 - Distinguishing Features and Identification Criteri 10.3390/min10020153 9
[3] Arjunan 等 - 2012 - Quantum chemical studies and vibrational analysis 10.1016/j.saa.2012.08.053 12
[4] Kemnitz 和 Ritter - 2012 - Influence of cyclodextrin on the solubility and th 10.3762/bjoc.8.245 2
[5] Yang 等 - 2022 - A Strategy to Achieve the Inherently Flame-retarda 10.21203/rs.3.rs-1267691/v1 15
[6] Kiefer 等 - 2019 - Identification of Passion Fruit Oil Adulteration b 10.3390/molecules24183219 4
[7] Xu 等 - 2022 - Thermal Degradation and Organic Chlorine Removal f 10.3390/en15166058 11
[8] Santos 等 - 2023 - Forest by-Product Valorization Pilot-Scale Pinus 10.3390/f14050895 10
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Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image
Discussion

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