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POLYESTER

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結果編號: 20260430095502627270289 擁有者: ottavia 評論: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260430095502627270289 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
Library spectrum Interactive sample curve Move the pointer to show the vertical guide line.
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

POLYESTER

Entity identified
LLM信心
#12708 Initial rank 1 Current rank 1 Library lead match 88.1%
Conclusion
  1. reference library comparison returns POLYESTER with high confidence (85 %) and a Top‑15 consensus pointing to aromatic/amide chemistry.
  2. The triad of peaks at 712, 875, and 1429 cm ¹ unequivocally indicates calcium carbonate filler, consistent with the strong similarity of calcium carbonate spectra appearing in the library’s Top‑15 candidates.
  3. Multiple independent literature sources assign these bands to carbonate vibrations, reinforcing the filler identification.
Main limitation

The carbonyl peak position (1797 cm ¹) is shifted relative to the most common polyester C=O absorption (~1720 cm ¹); this could be due to anhydride formation or electron‑withdrawing ester linkages, but does not rule out the polyester classification.

Evidence & interpretation
Evidence

Key evidence

資料庫主要匹配
POLYESTER #12708 | match 88.1%
材料方向
Aromatic amide-containing polyester filled with calcium carbonate The FTIR spectrum is consistent with POLYESTER, the top library match (similarity 0.881, high confidence). The material incorporates a substantial amount of calcium carbonate filler, as evidenced by the characteristic carbonate vibrational pattern. The organic matrix exhibits aromatic/amide features, supporting the reference library comparison direction.
Supporting peaks
712 cm-1 875 cm-1 1030 cm-1 1429 cm-1 1797 cm-1 3440 cm-1
Supporting groups
methyl aromatic c_o_single_bond oxygen chlorine carbonate
Support

Evidence supporting the conclusion

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

  1. The FTIR spectrum is consistent with POLYESTER, the top library match (similarity 0.881, high confidence). The material incorporates a substantial amount of calcium carbonate filler, as evidenced by the characteristic carbonate vibrational pattern. The organic matrix exhibits aromatic/amide features, supporting the reference library comparison direction.
  2. reference library comparison returns POLYESTER with high confidence (85 %) and a Top‑15 consensus pointing to aromatic/amide chemistry.
  3. The triad of peaks at 712, 875, and 1429 cm ¹ unequivocally indicates calcium carbonate filler, consistent with the strong similarity of calcium carbonate spectra appearing in the library’s Top‑15 candidates.
  4. Multiple independent literature sources assign these bands to carbonate vibrations, reinforcing the filler identification.
  5. The strong pair of bands at 875 cm ¹ and 712 cm ¹ is attributed to carbonate out‑of‑plane bending and ν₄ bending modes, respectively, and is directly supported by literature assignments [1][3].
  6. The absorption at 1429 cm ¹ is assigned to the asymmetric stretching vibration of carbonate, matching the peak positions reported for limestone powder (Wang et al. 2023).
  7. A carbonyl stretch of the polyester matrix is observed at 1797 cm ¹, somewhat above the typical ester C=O range, which may reflect anhydride or conjugated ester contributions [6].
  8. The broad band around 3440 cm ¹ corresponds to O H stretching of adsorbed water, a common feature in filled polymer systems [4].
  9. A band at 1030 cm ¹ is present and can be broadly attributed to C O single‑bond vibrations, although its precise assignment remains non‑specific.
  10. Major peak assignments include 1429: Related literature: carbonate (CO3) feature set | Direct reference: alkyl c h; c o single bond; 875: Related literature: carbonate (CO3) feature set; aluminosilicate / siloxane network | Direct reference: alkyl c h; c o single bond; 1030: Related literature: aluminosilicate / siloxane network | Direct reference: alkyl c h; c o single bond; 712: Related literature: carbonate (CO3) feature set | Direct reference: alkyl c h; c o single bond.
Limitations

Evidence that limits the conclusion

  • The carbonyl peak position (1797 cm ¹) is shifted relative to the most common polyester C=O absorption (~1720 cm ¹); this could be due to anhydride formation or electron‑withdrawing ester linkages, but does not rule out the polyester classification.
  • The 1030 cm ¹ band cannot be assigned with certainty to a specific functional group from the current data; both C O stretching (ester/alcohol) and sulfoxide S=O are possible, the latter suggested by one literature source [2].
  • The exact nature of the polyester backbone (e.g., aromatic amide sequence, possible vinyl ester comonomer) would benefit from additional analyses such as pyrolysis‑GC/MS or NMR.
Recommendation

Suggested next verification

  • Confirm the base polymer by dissolving or extracting the filler (acid digestion) and re‑recording the FTIR spectrum of the organic fraction.
  • Perform thermogravimetric analysis (TGA) coupled with FTIR to resolve the carbonate content and identify the thermal degradation signature of the polymer.
  • Acquire Raman or X‑ray diffraction data to verify the polymorph of calcium carbonate (calcite vs. aragonite).
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 1429 1.00 文獻支援的分配 位於 1429 cm-1 的譜帶歸屬於 carbonate anion[8]。 [8] LLM信心
2 ★ 875 0.50 文獻支援的分配 位於 875 cm-1 的譜帶歸屬於 carbonate phases[12]。 [12] LLM信心
3 ★ 1030 0.35 文獻支援的分配 位於 1030 cm-1 的譜帶歸屬於 C-O single bond[13]。 [13] LLM信心
4 ★ 712 0.21 文獻支援的分配 位於 712 cm-1 的譜帶歸屬於 ν4[7]。 [7] LLM信心
5 ★ 1797 0.12 文獻支援的分配 位於 1797 cm-1 的譜帶歸屬於 unassigned carbonyl (C=O) region[10]。 [10] 整體信賴度
6 ★ 3440 0.12 文獻支援的分配 位於 3440 cm-1 的譜帶歸屬於 water[9]。 [9] LLM信心
Literature

References

486 local KG peak-level literature source(s) kept in the candidate pool; peaks 712, 875, 1030, 1429, 1797, 3440; groups adsorption, al_h_bond, alcoholic_c_o_str, alkene.

No. Title DOI Page
[1] Kasso 等 - 2023 - A GLANCE TO THE FRAGMENTA MEMBRANEA MANUSCRIPT COL 10.1017/rdc.2022.81 -
[2] Chen 等 - 2022 - Effect of Re-Recycling on Rheology and Microstruct 10.3390/ma15196641 -
[3] Bhanthumnavin 等 - 2016 - Surface modification of bacterial cellulose membra 10.1016/j.surfcoat.2016.06.035 -
[4] Anchieta 等 - 2014 - Effects of Solvent Diols on the Synthesis of ZnFe2 10.3390/ma7096281 -
[5] AlDayyat 等 - 2021 - Pyrolysis of Solid Waste for Bio-Oil and Char Prod 10.3390/en14133861 -
[6] Akbar 等 - 2022 - Green Nanocomposite for the Adsorption of Toxic Dy 10.3390/coatings12121955 -
[7] Queiros 等 - 2017 - Composite Superabsorbent Hydrogel of Acrylic Copol 10.21577/0103-5053.20170046 -
[8] Castaldelli 等 - 2013 - Use of SlagSugar Cane Bagasse Ash (SCBA) Blends i 10.3390/ma6083108 -
[9] Baykal 等 - 2007 - Low temperature synthesis and characterization of 10.2478/s11532-006-0064-7 -
[10] Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana 10.1155/2017/4938145 5
[11] Wang 等 - 2023 - Properties and Cementation Mechanism of Geopolymer 10.3390/ma16020480 18
[12] Ion 等 - 2023 - Archaeometric Investigations of the Chalcolithic P 10.3390/coatings13030488 16
[13] Zhu 等 - 2021 - Combined fouling of forward osmosis membrane by al - 13
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
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