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Polyolefin-based material with possible halogenation and oxygenated/aromatic enclosures

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หมายเลขผลลัพธ์: 20251001162113632814129 เจ้าของ: publicuser ความคิดเห็น: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20251001162113632814129 Date: Reported by: FTIR.fun Contact: [email protected]

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Top 15 candidates

Reference library candidates

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Based on the library matches and evidence above.

Conclusion

Polyolefin-based material with possible halogenation and oxygenated/aromatic enclosures

General assessment
ความเชื่อมั่นของ LLM
#1 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Direct literature evidence [7] explicitly assigns the 720 cm⁻¹ band to C-Cl stretching in PVC systems.
  2. Reference interpretation confirms that the 1096–1111 cm⁻¹ region corresponds to ν(COC) ether stretching in PEO-PVC blends.
  3. Over 90 literature sources support the alkyl C-H assignments for the aliphatic stretching region.
Main limitation

The carbonyl band at 1706 cm⁻¹ and the aromatic features at 1537–1574 cm⁻¹ are incompatible with a pure chlorinated polyethylene; they indicate additional chemical constituents.

Evidence & interpretation
Evidence

Key evidence

การจับคู่หลักของคลังข้อมูล
Chlorinated polyethylene #1 | match 0.0%
ทิศทางของวัสดุ
Polyolefin-based material with possible halogenation and oxygenated/aromatic enclosures The FTIR spectrum reveals a multi-component organic material with a dominant aliphatic hydrocarbon character, supported by strong C-H stretching bands at 2954, 2914, and 2847 cm⁻¹ and bending vibrations at 1465 and 1377 cm⁻¹. A peak at 720 cm⁻¹ has been directly attributed to C-Cl stretching [7], indicating some halogen content. The presence of a distinct carbonyl band at 1706 cm⁻¹ and C-O-C stretching features near 1096–1111 cm⁻¹ points to oxidation or ether-containing additives. Aromatic ring modes at 1574 and 1537 cm⁻¹ further complicate the composition. While the top library hit suggests chlorinated polyethylene, the overall spectral evidence is better described as a mixed aliphatic material with probable halogenation, oxidation, and aromatic contaminants or additives.
Supporting peaks
667 cm-1 720 cm-1 830 cm-1 963 cm-1 1096 cm-1 1111 cm-1 1211 cm-1 1275 cm-1
Supporting groups
aromatic methyl c_o_single_bond oxygen ring ring_6m ether alkoxy
Support

Evidence supporting the conclusion

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

  1. The FTIR spectrum reveals a multi-component organic material with a dominant aliphatic hydrocarbon character, supported by strong C-H stretching bands at 2954, 2914, and 2847 cm⁻¹ and bending vibrations at 1465 and 1377 cm⁻¹. A peak at 720 cm⁻¹ has been directly attributed to C-Cl stretching [7], indicating some halogen content. The presence of a distinct carbonyl band at 1706 cm⁻¹ and C-O-C stretching features near 1096–1111 cm⁻¹ points to oxidation or ether-containing additives. Aromatic ring modes at 1574 and 1537 cm⁻¹ further complicate the composition. While the top library hit suggests chlorinated polyethylene, the overall spectral evidence is better described as a mixed aliphatic material with probable halogenation, oxidation, and aromatic contaminants or additives.
  2. Direct literature evidence [7] explicitly assigns the 720 cm⁻¹ band to C-Cl stretching in PVC systems.
  3. Reference interpretation confirms that the 1096–1111 cm⁻¹ region corresponds to ν(COC) ether stretching in PEO-PVC blends.
  4. Over 90 literature sources support the alkyl C-H assignments for the aliphatic stretching region.
  5. The strong aliphatic C-H stretching triplet (2954, 2914, 2847 cm⁻¹) is characteristic of long-chain hydrocarbons and is consistent with alkyl C-H assignments supported by over 90 independent literature sources.
  6. The band at 720 cm⁻¹, assigned to C-Cl stretching in PVC-like environments [7], constitutes the primary direct evidence for halogen incorporation.
  7. Prominent absorption at 1706 cm⁻¹ indicates carbonyl functionalities (ketones, aldehydes, or carboxylic acids), which are not typical of pure polyolefins and suggest oxidative degradation or oxygenated admixtures.
  8. The pair of peaks at 1096 and 1111 cm⁻¹ aligns well with ether C-O-C stretching modes reported in PEO-PVC polymer electrolyte systems, reinforcing the presence of oxygenated species.
  9. Weak but discernible aromatic ring stretching at 1537 and 1574 cm⁻¹ suggests trace aromatic compounds, possibly from additives or contamination.
  10. Major peak assignments include 2914: Related literature: Aliphatic C-H stretching (CH2, CH3) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 1537: Related literature: Aromatic ring C=C stretch | Quality: The spectrum edges look truncated or baseline-shifted; 1465: Related literature: Aliphatic hydrocarbon chain (CH2)n (methylene rock, CH2/CH3 bending) | Quality: The spectrum edges look truncated or baseline-shifted; 2847: Related literature: Aliphatic C-H stretching (CH2, CH3) | Quality: The spectrum edges look truncated or baseline-shifted.
Limitations

Evidence that limits the conclusion

  • The carbonyl band at 1706 cm⁻¹ and the aromatic features at 1537–1574 cm⁻¹ are incompatible with a pure chlorinated polyethylene; they indicate additional chemical constituents.
  • Several candidate peak assignments suggest inorganic or biological entities (e.g., amphibole, milk fat, zinc nanoparticles) that do not match the overall organic polymeric character.
  • The exact nature of the halogen and the type of carbonyl/ether compounds remain unresolved without complementary techniques (e.g., XRF, GC-MS).
  • The low spectral library similarity (0.00) and the heterogeneous evidence across literature sources prevent definite identification of a single compound or polymer.
Recommendation

Suggested next verification

  • Perform elemental analysis (e.g., XRF or EDX) to confirm the presence and identity of halogens (Cl, Br) and oxygen content.
  • Use solvent extraction or pyrolysis-GC/MS to separate and identify the aromatic and oxygenated minor components.
  • Compare with reference spectra of pure chlorinated polyethylene and polyethylene to assess spectral differences attributable to oxidation or blending.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 2914 1.00 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 2914 cm-1 ถูกกำหนดให้เป็น alkyl C-H[RC885] [RC885] ความเชื่อมั่นโดยรวม
2 ★ 1537 0.93 การกำหนดวรรณกรรมเชิงเปรียบเทียบ แถบที่ 1537 cm-1 ถูกกำหนดให้เป็น Aromatic ring C=C stretch[S6] [S6] ความเชื่อมั่นของ LLM
3 ★ 1465 0.84 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 1465 cm-1 ถูกกำหนดให้เป็น alkyl C-H[RC625] [RC625] ความเชื่อมั่นโดยรวม
4 ★ 2847 0.79 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 2847 cm-1 ถูกกำหนดให้เป็น alkyl C-H[RC627] [RC627] ความเชื่อมั่นโดยรวม
5 ★ 1574 0.73 การกำหนดวรรณกรรมเชิงเปรียบเทียบ แถบที่ 1574 cm-1 ถูกกำหนดให้เป็น Aromatic ring C=C stretch[S6] [S6] ความเชื่อมั่นของ LLM
6 · 1417 0.51 - - - -
7 · 1433 0.47 - - - -
8 ★ 720 0.45 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 720 cm-1 ถูกกำหนดให้เป็น chlorine[7] [7] ความเชื่อมั่นของ LLM
9 · 667 0.35 - - - -
10 · 1275 0.29 - - - -
11 · 1211 0.27 - - - -
12 ★ 1096 0.26 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 1096 cm-1 ถูกกำหนดให้เป็น Ether C-O C stretching (alkoxy group)[S2] [S2] ความเชื่อมั่นของ LLM
13 ★ 2954 0.25 การกำหนดวรรณกรรมเชิงเปรียบเทียบ แถบที่ 2954 cm-1 ถูกกำหนดให้เป็น Aliphatic C-H stretching (CH2, CH3)[S6] [S6] ความเชื่อมั่นโดยรวม
14 · 1111 0.24 - - - -
15 ★ 963 0.22 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 963 cm-1 ถูกกำหนดให้เป็น alkene[RC1777] [RC1777] ความเชื่อมั่นของ LLM
16 ★ 1377 0.22 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 1377 cm-1 ถูกกำหนดให้เป็น alkyl C-H[RC1579] [RC1579] ความเชื่อมั่นโดยรวม
17 ★ 1706 0.20 การกำหนดพีคที่สนับสนุนโดยเอกสาร แถบที่ 1706 cm-1 ถูกกำหนดให้เป็น carbonyl[RC2332] [RC2332] ความเชื่อมั่นของ LLM
18 · 830 0.20 - - - -
19 · 2163 0.12 - - - -
20 · 2006 0.11 - - - -
21 · 2071 0.10 - - - -
Literature

References

1292 local KG peak-level literature source(s) kept in the candidate pool; peaks 667, 720, 830, 963, 1096, 1111; groups 1,2,3_tri_substituted, 1,3_substituted_compound, 1,4, 4_ring_breathing_mode.

No. Title Page
[1] Torres-Rodriguez 等 - 2022 - Polyvinylidene Fluoride Aerogels with Tailorable C -
[2] Slobodian 等 - 2018 - Low-Temperature Reduction of Graphene Oxide Elect -
[3] Ouadah 等 - 2022 - Optical and photoelectrochemical properties of nit -
[4] Madadi 和 Wei - 2022 - Characterization of Calcium Silicate Hydrate Gels -
[5] Khan 等 - 2004 - Effects of post-annealing on the infrared active p -
[6] Jiang XiaoXiang 等 - 2011 - Structure properties of pyrolytic lignin extracted -
[7] Arya 和 Sharma - 2018 - Structural, microstructural and electrochemical pr -
[8] pdf20231221 cm-1 infrared 第一部分/duband 等 - 2012 - laryngeal teflonoma identified by fourier-transfor.pdf -
[9] pdf20231221 cm-1 infrared 第一部分/cordeiro 等 - 1998 - cork suberin as a new source of chemicals. 1. isol.pdf -
[10] 0816 ftir cm_1 peak wos/lee 等 - 1995 - annealing effects in hydrogenated silicon-nitride .pdf -
[11] Rowland 等 - 2018 - Further spectral and chromatographic studies of am -
[12] Qin 等 - 2022 - Application of SiON Coatings in Sandstone Artifact -
[13] Li 等 - 2020 - Investigation of hindered phenol antioxidant effec -
[14] Kiss 等 - 2012 - Structure and reactivity of Au-Rh bimetallic clust -
[15] Jevremovic 等 - 2014 - Investigation of the effect of acid dopant on the -
[16] Boydston-White 等 - 2006 - Cell-cycle-dependent variations in FTIR micro-spec -
[17] Al-Shdefat 等 - 2023 - Ribociclib Hybrid Lipid-Polymer Nanoparticle Prepa -
[18] pdf20231221 cm-1 infrared 第一部分/aran-ais 等 - 2011 - on the behavior of the pt(100) and vicinal surface.pdf -
[19] Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm -
[20] Ahsan 等 - 2023 - Bio-Fabrication of ZnONPs from Alkalescent Nucleos -
[21] Caliskan 等 - 2022 - Investigation of the Side Chain Effect on Gas and -
[S1] Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana 10
[S2] Arya 和 Sharma - 2018 - Structural, microstructural and electrochemical pr 46
[S4] Arjunan 等 - 2012 - Quantum chemical studies and vibrational analysis 12
[S5] Tu-ya 等 - 2010 - Analysis of fingerprints features of infrared spec 5
[S6] Kebukawa 等 - 2017 - Characterization of carbonaceous matter in xenolit 66
[RC625] Ding 和 Hesp - 2021 - Variable-temperature Fourier-transform infrared sp 7
[RC627] Zhong 等 - 2019 - Preparation and Properties of Carboxymethyl Chitos 5
[RC885] Zhao 等 - 2017 - Assessment of HDPE Aged under DC Voltage Combined 5
[RC1579] Xu 等 - 2021 - A Rapid Method for the Determination of SBS Conten 8
[RC1777] Iwanski 等 - 2023 - Effects of Laboratory Ageing on the FTIR Measureme 6
[RC2332] Zhang 等 - 2017 - Preparation and Characterization of Carbamazepine 5
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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