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inorganic carbonate-containing material

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Nr. rezultat: 20250318170028439231572 Proprietar: publicuser Comentarii: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250318170028439231572 Date: 2025-03-18 11:31:50 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

inorganic carbonate-containing material

General assessment
-
#47816 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The observed 1396 cm-1 band supports a strong carbonate stretching vibration.
  2. The accompanying bands near 870 and 709 cm-1 support the same carbonate-containing interpretation.
  3. The peak set is more consistent with an inorganic salt-like material than with an organic compound requiring multiple distinct C-H, C-F, or aromatic features.
Main limitation

The top library identification as barium(+2) cation; trifluoromethanesulfonate is not directly supported by characteristic evidence for trifluoromethanesulfonate, such as a richer sulfur-oxygen and carbon-fluorine band pattern.

Evidence & interpretation
Evidence

Key evidence

Potrivire principală din bibliotecă
barium(+2) cation; trifluoromethanesulfonate #47816 | match 0.0%
Direcția materialului
inorganic carbonate-containing material The current FTIR evidence does not support a firm identification of the sample as the top library hit. The observed bands at about 709, 870, and 1396 cm-1 are more consistent with a carbonate-containing inorganic material than with the specific retrieved compound barium(+2) cation; trifluoromethanesulfonate. The library result is low-confidence and internally inconsistent across the top candidates, so the safest conclusion is a broad carbonate-containing inorganic direction rather than a specific entity assignment.
Support

Evidence supporting the conclusion

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

  1. The current FTIR evidence does not support a firm identification of the sample as the top library hit. The observed bands at about 709, 870, and 1396 cm-1 are more consistent with a carbonate-containing inorganic material than with the specific retrieved compound barium(+2) cation; trifluoromethanesulfonate. The library result is low-confidence and internally inconsistent across the top candidates, so the safest conclusion is a broad carbonate-containing inorganic direction rather than a specific entity assignment.
  2. The observed 1396 cm-1 band supports a strong carbonate stretching vibration.
  3. The accompanying bands near 870 and 709 cm-1 support the same carbonate-containing interpretation.
  4. The peak set is more consistent with an inorganic salt-like material than with an organic compound requiring multiple distinct C-H, C-F, or aromatic features.
  5. The sample shows three prominent absorptions near 709, 870, and 1396 cm-1.
  6. This band pattern is characteristic of carbonate vibrations, especially the strong band near 1396 cm-1 with accompanying lower-wavenumber bands near 870 and 709 cm-1.
  7. The leading library candidate is barium(+2) cation; trifluoromethanesulfonate, but the match confidence is 0 and the Top-15 list contains chemically unrelated materials, indicating a weak retrieval basis.
  8. The Top-15 pattern includes fluorinated polymers, chlorinated aromatics, sulfur-oxygen compounds, and phosphates, which does not provide a coherent narrow material assignment for this sample.
Limitations

Evidence that limits the conclusion

  • The top library identification as barium(+2) cation; trifluoromethanesulfonate is not directly supported by characteristic evidence for trifluoromethanesulfonate, such as a richer sulfur-oxygen and carbon-fluorine band pattern.
  • The sample peak list does not show reported support for features expected for chlorinated polyphenyls or poly(vinylidene fluoride), despite those also appearing among the leading library candidates.
  • Because the top candidates are chemically diverse and all have zero similarity, the library search does not provide a reliable narrow identification.
  • FTIR alone, from the limited reported peaks, cannot determine which carbonate-containing inorganic material is present.
  • The present evidence does not distinguish confidently among possible carbonate salts or mixtures.
  • No direct literature match or reference spectrum confirmation is available for the current sample.
Recommendation

Suggested next verification

  • Compare the full spectrum against reference spectra for common inorganic carbonates, especially barium carbonate and calcium carbonate, because the observed band positions are compatible with carbonate salts.
  • Check the sample by Raman spectroscopy or X-ray diffraction to distinguish specific crystalline carbonate phases.
  • If elemental analysis is available, verify whether barium, calcium, magnesium, or sodium is present to narrow the carbonate assignment.
  • Re-examine the full FTIR spectrum for additional bands outside the reported peak list, particularly any sulfur-oxygen or carbon-fluorine absorptions that would be required to support trifluoromethanesulfonate.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1396 1.00 - - - -
2 · 870 0.95 - - - -
3 · 709 0.45 - - - -
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): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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