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RESULTAATPAGINA

Polystyrene

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Resultaat nr.: 20260212214838789416377 Eigenaar: shorty Reacties: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260212214838789416377 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

Polystyrene

Entity identified
Algehele betrouwbaarheid
#25065 Initial rank 1 Current rank 1 Library lead match 87.4%
Conclusion
  1. Library search returned Polystyrene as the top hit with similarity 0.874 and multiple polystyrene entries in the top-15.
  2. Direct literature evidence assigns the 699 cm⁻¹ band to polystyrene (PS) [1].
  3. Related literature sources (S2, S3, S5) report polystyrene spectra with matching peaks at 699, 1028, 1452, 1492, 1601, 3026 cm⁻¹, consistent with the current sample.
Main limitation

Minor peaks at 906, 1068, and 1181 cm⁻¹ are not as prominent in idealized polystyrene spectra, but they appear in the library matches and may be attributed to skeletal C-C or C-O vibrations from additives or slight oxidation.

Evidence & interpretation
Evidence

Key evidence

Bibliotheek hoofdmatch
Polystyrene #25065 | match 87.4%
Materiaalrichting
Polystyrene The sample spectrum is identified as polystyrene, with a library search confidence of 84% and a consensus among the top-15 matches. The observed infrared bands are consistent with the characteristic spectral pattern of atactic polystyrene.
Supporting peaks
699 cm-1 758 cm-1 906 cm-1 1028 cm-1 1068 cm-1 1154 cm-1 1181 cm-1 1372 cm-1
Supporting groups
methyl aromatic c_o_single_bond oxygen n_h oxygen_heterocycle aromatic_c_h_out_of_plane_bend ring_breathing_(c=c_stretching)
Support

Evidence supporting the conclusion

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

  1. The sample spectrum is identified as polystyrene, with a library search confidence of 84% and a consensus among the top-15 matches. The observed infrared bands are consistent with the characteristic spectral pattern of atactic polystyrene.
  2. Library search returned Polystyrene as the top hit with similarity 0.874 and multiple polystyrene entries in the top-15.
  3. Direct literature evidence assigns the 699 cm⁻¹ band to polystyrene (PS) [1].
  4. Related literature sources (S2, S3, S5) report polystyrene spectra with matching peaks at 699, 1028, 1452, 1492, 1601, 3026 cm⁻¹, consistent with the current sample.
  5. The overall peak pattern, especially the combination of aromatic and aliphatic C-H stretches and the out-of-plane bending region, is highly specific to polystyrene.
  6. The strong aromatic C-H out-of-plane bending bands at 699 and 758 cm⁻¹ are typical of a monosubstituted benzene ring, and the reference spectrum of polystyrene shows these exact bands.
  7. The ring breathing and C=C stretching vibrations at 1601 and 1583 cm⁻¹ are also characteristic of the polystyrene aromatic structure.
  8. Aliphatic C-H stretching bands at 2849 and 2923 cm⁻¹, along with aromatic C-H stretching bands at 3026, 3061, and 3082 cm⁻¹, match the expected pattern for polystyrene.
  9. The peaks at 1452 and 1492 cm⁻¹ correspond to CH₂/CH bending and aromatic semicircle stretching, respectively, which are part of the polystyrene fingerprint.
  10. Major peak assignments include 699: Related literature: Polystyrene-like aromatic polymer pattern | Direct reference: alkyl c h; aromatic; 1452: Related literature: Polystyrene-like aromatic polymer pattern; 3026: Related literature: Polystyrene-like aromatic polymer pattern; 2923: Related literature: Polystyrene-like aromatic polymer pattern.
Limitations

Evidence that limits the conclusion

  • Minor peaks at 906, 1068, and 1181 cm⁻¹ are not as prominent in idealized polystyrene spectra, but they appear in the library matches and may be attributed to skeletal C-C or C-O vibrations from additives or slight oxidation.
  • While the library confidence is high, the presence of a band at 906 cm⁻¹ might suggest a small impurity or additive; however, it does not contradict the primary identification.
  • Some direct literature assignments for peaks such as 1068 cm⁻¹ to Si-O or other groups are inconsistent with polystyrene, but these assignments originate from studies on different material systems and are less probable given the strong library match.
Recommendation

Suggested next verification

  • To confirm the identification, compare the spectrum with an authentic polystyrene reference under identical instrumental conditions.
  • If the sample is suspected to be a copolymer or contain additives, complementary techniques such as Raman spectroscopy or thermal analysis (DSC) could provide further insight.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 699 1.00 Literatuur-ondersteunde toewijzing De band bij 699 cm-1 is toegewezen aan Polystyrene like aromatic polymer pattern[21][22][23][24][S6]. [21], [22], [23], [24], [S6] LLM-vertrouwen
2 ★ 1452 1.00 Literatuur-ondersteunde toewijzing De band bij 1452 cm-1 is toegewezen aan alkyl C-H[30]. [30] LLM-vertrouwen
3 ★ 3026 1.00 Literatuur-ondersteunde toewijzing De band bij 3026 cm-1 is toegewezen aan aromatic[20]. [20] Algehele betrouwbaarheid
4 ★ 2923 1.00 Literatuur-ondersteunde toewijzing De band bij 2923 cm-1 is toegewezen aan alkyl C-H[29]. [29] LLM-vertrouwen
5 ★ 1492 1.00 Literatuur-ondersteunde toewijzing De band bij 1492 cm-1 is toegewezen aan aromatic[26]. [26] LLM-vertrouwen
6 ★ 758 0.75 Literatuur-ondersteunde toewijzing De band bij 758 cm-1 is toegewezen aan Polystyrene like aromatic polymer pattern[21][22][23][24][S6]. [21], [22], [23], [24], [S6] LLM-vertrouwen
7 ★ 3061 0.42 Literatuur-ondersteunde toewijzing De band bij 3061 cm-1 is toegewezen aan aromatic[31]. [31] Algehele betrouwbaarheid
8 ★ 1601 0.36 Literatuur-ondersteunde toewijzing De band bij 1601 cm-1 is toegewezen aan aromatic[27]. [27] LLM-vertrouwen
9 ★ 3082 0.29 Literatuur-ondersteunde toewijzing De band bij 3082 cm-1 is toegewezen aan aromatic[32]. [32] Algehele betrouwbaarheid
10 ★ 2849 0.28 Literatuur-ondersteunde toewijzing De band bij 2849 cm-1 is toegewezen aan alkyl C-H[28]. [28] LLM-vertrouwen
11 ★ 1028 0.24 Literatuur-ondersteunde toewijzing De band bij 1028 cm-1 is toegewezen aan C-C single bond[19]. [19] Algehele betrouwbaarheid
12 ★ 3001 0.17 Literatuur-ondersteunde toewijzing De band bij 3001 cm-1 is toegewezen aan aromatic[33]. [33] Algehele betrouwbaarheid
13 · 906 0.15 - - - -
14 ★ 1583 0.14 Literatuur-ondersteunde toewijzing De band bij 1583 cm-1 is toegewezen aan aromatic[25]. [25] LLM-vertrouwen
15 · 1068 0.13 - - - -
16 · 1372 0.13 - - - -
17 · 1181 0.12 - - - -
18 · 1154 0.11 - - - -
Literature

References

1514 local KG peak-level literature source(s) kept in the candidate pool; peaks 699, 758, 906, 1028, 1068, 1154; groups (c)n_h_in_amide, 31_helical_conformation, a_glucopyranoside_units, absorption.

No. Title DOI Page
[1] Yu 等 - 2023 - Laboratory Investigation of Storage Stability and 10.3390/ma16072564 -
[2] Ramadan 和 Ismail - 2022 - Tunning the Physical Properties of PVDFPVCZinc F 10.21203/rs.3.rs-935328/v1 -
[3] Ouadah 等 - 2022 - Optical and photoelectrochemical properties of nit 10.1080/2374068x.2021.1890420 -
[4] Misra 等 - 2006 - FTIR studies of nitrogen doped carbon nanotubes 10.1016/j.diamond.2005.08.013 -
[5] Jheng 等 - 2021 - Anion Exchange Membranes Based on Imidazoline Quat 10.3390/membranes11110901 -
[6] Harstad 等 - 2017 - Enhancement of beta-phase in PVDF films embedded w 10.1063/1.4973596 -
[7] Dahham 等 - 2018 - Synthesis and structural studies of an epoxidized 10.1016/j.polymertesting.2017.11.005 -
[8] Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm 10.3390/foods10081848 -
[9] Archibong 等 - 2012 - Investigation of the binding of dioxin selective p 10.1016/j.synthmet.2012.04.012 -
[10] Abdi 等 - 2022 - Improvement of anti-corrosion performance of an ep 10.1038/s41598-022-14854-y -
[11] pdf20231221 cm-1 infrared 第一部分/minisini 等 - 2019 - influence of the chemical composition and formulat.pdf - -
[12] pdf20231221 cm-1 infrared 第一部分/duband 等 - 2012 - laryngeal teflonoma identified by fourier-transfor.pdf - -
[13] Kumar 等 - 2014 - 60 MeV Ni ion induced modifications in nano-CdSpo 10.1016/j.radphyschem.2013.06.022 -
[14] Jaleh 等 - 2015 - Characteristics of PVDF Membranes Irradiated by El 10.3390/membranes5010001 -
[15] Arul 等 - 2023 - Detoxification of Toxic Organic Dye by Heteroatom- 10.3390/agronomy13010205 -
[16] Arjunan 等 - 2007 - Fourier transform infrared and Raman spectral assi 10.1016/j.saa.2006.09.044 -
[17] Aamouche 和 Goormaghtigh - 2008 - FTIR-ATR biosensor based on self-assembled phospho 10.3233/spe-2008-0351 -
[18] pdf20231221 cm-1 infrared 第一部分/beyazyidirim 等 - 2006 - synthesis and electrochromic properties of conduct.pdf - -
[19] Morales Cepeda 等 - 2022 - Synthesis of glycerol carbonate from glycerin with 10.1080/15685551.2022.2037215 -
[20] pdf20231221 cm-1 infrared 第一部分/ghodke 等 - 2010 - solid state characterization of domperidone hydro.pdf - -
[21] Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana 10.1155/2017/4938145 5
[22] Bell 等 - 2019 - Non-invasive identification of polymers in cultura 10.1186/s40494-019-0336-0 10
[23] Galgali 等 - 2007 - Sugar-linked biodegradable polymers Regio-specifi 10.1016/j.carbpol.2006.06.035 6
[24] Hadiyanto 等 - 2021 - Interaction between Styrofoam and Microalgae Spiru 10.3390/toxics9030043 7
[25] Yadav 和 Urade - 2019 - Formulation and Evaluation of Chitosan Based Trans 10.5530/ijper.53.1.12 6
[26] Meal - 2005 - Use of Fourier transform infrared and second deriv 10.1002/app.22427 1
[27] Jheng 等 - 2021 - Anion Exchange Membranes Based on Imidazoline Quat 10.3390/membranes11110901 3
[28] Weaver 等 - 2022 - Microfluidic-mediated self-assembly of phospholipi 10.1016/j.ijpharm.2021.121347 24
[29] Srisongkram 等 - 2020 - Evaluation of Melanoma (SK-MEL-2) Cell Growth betw 10.3390/ijms21114141 12
[30] Garrido 等 - 2016 - Kinetic study and thermal decomposition behavior o - 37
[31] Srinivas 等 - 2010 - Detection, Isolation and Characterization of Princ - 5
[32] Tao 等 - 2020 - Salumycin, a New Pyrazolequinone from aStreptomyce 10.3390/molecules25184098 2
[33] Schwarz 等 - 2023 - Structural Characterization of BIAN Type Molecules 10.3390/molecules28020489 11
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
Discussie

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