RESULT PAGE

inorganic carbonate-containing material

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Result No.: 20250318170028439231572 Owner: publicuser Comments: 0
FTIR Analysis Report

inorganic carbonate-containing material

Sample & Measurement Parameters

Report No. 20250318170028439231572
Date 2025-03-18 11:31:50
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

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

Detailed interpretation

  • Top library match: barium(+2) cation; trifluoromethanesulfonate #47816
  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, S-O the safest conclusion is a broad carbonate-containing inorganic direction rather than a specific entity assignment.
  • 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.

Recommended next steps: 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.

Library Comparison

Match group:
Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
Loading library candidates...

Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1396 1.00 - - -
2 · 870 0.95 - - -
3 · 709 0.45 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250318170028439231572 2025-03-18 11:31:50
Discussion

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