What absorbs at 963 cm⁻¹ in an FTIR spectrum?
A band near 963 cm⁻¹ can point to several functional groups. Below are the most likely assignments, ranked by how much published evidence supports each — every one traceable to literature (DOI) and cross-validated against our 130,000+ reference spectra and knowledge graph.
Backed by 8 cited sources
Quick answer
A band near 963 cm⁻¹ is usually interpreted by checking which functional groups repeatedly co-occur there in the literature, then confirming at least one or two additional peaks in the same sample. This page ranks those assignments by accumulated evidence rather than by a single fixed textbook rule.
可能性のある官能基アサイン
| 官能基 | 裏付け事実 | 引用元 | 最高信頼度 |
|---|---|---|---|
| Carbonate | 2 | 2 | 1.0 |
| Alkyl C-H | 2 | 2 | 1.0 |
| Hydroxyl (O-H) | 2 | 2 | 1.0 |
| Phosphate (PO4) | 2 | 2 | 1.0 |
| Silicon-oxygen (Si-O) | 2 | 2 | 1.0 |
| Metal oxygen | 1 | 1 | 1.0 |
| C c single bond | 1 | 1 | 1.0 |
| Aromatic ring | 1 | 1 | 1.0 |
| Alkene (C=C) | 1 | 1 | 1.0 |
| Silicon (Si) | 1 | 1 | 1.0 |
| Secondary amine | 1 | 1 | 1.0 |
| C n single bond | 1 | 1 | 1.0 |
| Amide | 1 | 1 | 1.0 |
| Ammonium | 1 | 1 | 0.7 |
| Silanol (Si-OH) | 1 | 0 | 0.9 |
ランキングは蓄積された文献証拠を反映しており、単一の権威あるルールではありません。常にサンプルのコンテキストと照合して確認してください。
Possible materials
| 素材 | 補助ピーク | Overlapping groups | 引用元 |
|---|---|---|---|
| hydroxyapatite | 963, 1620, 1639 | Phosphate (PO4), Hydroxyl (O-H), Alkyl C-H | 1 |
| calcium carbonate | 963, 3232, 2954 | Alkyl C-H, Carbonate, Hydroxyl (O-H) | 1 |
Materials are shown only when the same literature pool supports this band and at least one additional characteristic peak.
Spectrum logic
This band becomes meaningful only when read with its neighboring peaks. In practice, analysts first look at the assignments above, then check whether the same sample also shows other peaks expected for the same structural motif. A lone band near 963 cm⁻¹ is usually not enough for material identification by itself.
Real-world usage
This type of query is common in polymer identification, unknown plastic screening, QC troubleshooting, recycled-material verification, and literature-backed peak assignment review.
Common mistakes
- Treating one isolated band as proof of a material without checking at least one or two supporting peaks.
- Ignoring overlap: multiple functional groups can contribute near the same wavenumber.
- Skipping validation when additives, blends, oxidation, or contamination may distort the spectrum.
Verification advice
When ambiguity remains, validate the hypothesis with DSC, GC-MS, or TGA, especially for blends, degraded samples, and filled polymers.
これらのアサインの根拠となる文献
-
Amide 信頼度 1.0
“(The reason for this asCH 963cm-1,forinstance,reacheszeroabove250°C.Inpartb,the C-N+ signment is discussed later.) The peak observed at about peaks assigned to bound are more stable toward high cm-1 temperature relative to the unbound headg”
Nikoobakht 和 El-Sayed - 2001 - Evidence for bilayer assembly of cationic surfacta DOI: 10.1021/la010530o -
Silicon (Si) 信頼度 1.0
“Then, both peaks at cm-1 cm-1, 1175 and 1063 disappear and a single peak at 963 which is caused by Si-O-Na bonding, can be seen after 3 h of the reaction.”
Alumino-Silicate Structural Formation during Alkali-Activation of Metakaolin: In-Situ and Ex-Situ ATR-FTIR Studies DOI: 10.3390/ma16030985 -
信頼度 1.0
“v(SiO-H) 1200, 1112, 963 1252, 1099, 1095, 785 0.6, 0.59, 0.53, 0.18 v(SiOSi, vibrations) δ(OClO-Si-O-H) 963 988 0.31 (monodentate)”
Insights into interactions of chlorine-based cleaning products with indoor relevant surfaces DOI: 10.1071/EN22031 -
Phosphate (PO4) 信頼度 1.0
“The peak at 963 cm-1 is related to the PO43υ1 vibration units)”
Gavinho 等 - 2023 - An Eco-Friendly Process to Extract Hydroxyapatite DOI: 10.3390/jfb14050279 -
Phosphate (PO4) 信頼度 1.0
“cm-1 HA) showed the deep absorption peaks of PO at 1083-1035 The peak at 963 was due to PO43-”
Low-Cost Deposition of Antibacterial Ion-Substituted Hydroxyapatite Coatings onto 316L Stainless Steel for Biomedical and Dental Applications DOI: 10.3390/coatings10090880 -
Alkene (C=C) 信頼度 1.0
“particularly clear are the trans -CH=CHgroup vibrations butadiene at 963 cm-1), 907 cm-1 (=C-H out of plane bending of vinyl groups) and 697 cm-1 cm-1), cm-1 of butadiene at 963 907 (=C-H out of plane bending of vinyl groups) and”
Material Analysis and a Visual Guide of Degradation Phenomena in Historical Synthetic Polymers as Tools to Follow Ageing Processes in Industrial Heritage Collections DOI: 10.3390/polym14010121 -
C c single bond 信頼度 1.0
“cm-1 cm-1 cm-1 peak, 1075 is C-C vibration, 963 and 852 are Sulfur, wt.”
Ma 和 Liu - 2014 - Effect High Temperature Annealing on Graphitizatio DOI: 10.14233/ajchem.2014.16186A -
Carbonate 信頼度 1.0
“to PO Analysis cm-1 cm-1 Bands of 963 and 1500-1400 are related to the CO group, which is related to the carbonate ion of hydroxyapatite Powder preparation by sol-gel method.”
Montazeri 等 - 2011 - Synthesis of fluorapatite-hydroxyapatite nanoparti DOI: 10.2147/IJN.S15461
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