Oxygen (Organics)

Doublet Separations

  • No relevant non-S-orbital emissions

The Energies Listed are Binding Energies!

 

  • O 1s: 530 eV
  • O 2s: 20 eV
  • O 2p: 8 eV
XPS of a Water Droplet on Au
XPS survey scan of H2O frozen on an Au foil (recorded at 140K).

The Energies Listed are Binding Energies!

Overlaps for O 1s (primary emission)

  • Na KLL (Al kα X-rays) (500 eV)
  • V 2p (512 eV)
  • Dy MNN (Al kα X-rays) (517 eV)
  • Sb 3d (528 eV)
  • Pd 3d (531 eV)
  • At 4d (533 eV)
O 1s XPS spectrum
O 1s Peak overlap markers. Note – Na KLL not shown, but some auger intensity will overlap with the high binding energy side of O 1s.

Energies listed are Kinetic Energies!

 

O KLL: ~ 505 eV

 

O KLL Auger
O KLL Auger emission for frozen water droplet on Au foil.

The Energies Listed are Binding Energies!

Species Binding energy / eV Charge Ref Ref
C – O – C (Aliphatic) 532.6 ± 0.2 C (285 eV) Ref
C – O – C (Aromatic) 533.25 ± 0.2 C (285 eV) Ref
C – O – H (Aliphatic) 532.9 ± 0.1 C (285 eV) Ref
C – O – H (Aromatic) 533.6 C (285 eV) Ref
C = O (Aliphatic) 532.3 C (285 eV) Ref
C = O (Aromatic) 531.2 C (285 eV) Ref
Ph – O – Ph 533.3 C (284.7 eV) Ref
O – C – O 533.15 ± 0.2 C (285 eV) Ref
O – C = O 532.3 C (285 eV) Ref
O – C = O 533.9 C (285 eV) Ref
– C – O – C –
|| ||
O O
532.6 ± 0.2 C (285 eV) Ref
– C – O – C –
|| ||
O O
533.9 ± 0.1 C (285 eV) Ref
O – C – O
||
O
532.4 ± 0.1 C (285 eV) Ref
O – C – O
||
O
533.9 ± 0.05 C (285 eV) Ref
Common Functional Group Energies (O 1s)

The Energies Listed are Binding Energies!

Species Binding energy / eV Charge Ref Ref
O = C – N 531.4 ± 0.1 C (285 eV) Ref
N – CO – N 531.4 C (285 eV) Ref
C – O – NO2 533.9    
C – O – NO2 534.7    
C – NO2 532.4    
Common Functional Group Energies (O 1s)

The Energies Listed are Binding Energies!

Species Binding energy / eV Charge Ref Ref
CF2O CF2 532.3 C (285 eV) Ref
O – C(O) – CF3 533.8 C (285 eV) Ref
O – C(O) – CF3 532.6 C (285 eV) Ref
– SO2 531.8 ± 0.1 C (285 eV) Ref
Ph – S – Ph 531.6 C 1s (284.7) Ref
– SO3 531.7 C (285 eV) Ref
Ph-SO3Na 531.7 C (285 eV) Ref
C – O – P 533.4 C (285 eV) Ref
– PO2 533.2 P 2p (135 eV) Ref
– PO4 532.75 ± 0.15 P 2p (135 eV) Ref
OPO4 533.1 P 2p (135 eV) Ref
OHPO4 532.6 P 2p (135 eV) Ref
P2O7 532.35 P 2p (135 eV) Ref
P3O10 532.2 P 2p (135 eV) Ref
P4O12 531.8 P 2p (135 eV) Ref
P2O5 533.5 P 2p (135 eV) Ref
Common Functional Group Energies (O 1s)

The O 1s core level is particularly important in XPS analysis because it provides detailed information about the chemical states of oxygen atoms within the material. In polymers and organics, the O 1s peak can reveal the presence of various functional groups such as hydroxyls, carbonyls, and ethers, which are crucial for understanding the material’s properties and behavior. The binding energy of the O 1s electrons varies depending on the specific chemical environment, allowing for the identification and quantification of these functional groups. Accurate interpretation of O 1s XPS spectra requires careful consideration of factors such as sample preparation, charge neutralization, and data processing to ensure reliable results.

Analysis of polymers by XPS may lead to sample damage and degradation which tends to be led by a loss of oxygen, and as such O 1s should be taken as the initial scan – though it is worth analysing a number of areas with different analysis orders to assess damage.

Sample damage for ethers tends to decrease with increasing length of side chains.[1]

Poly(ether sulphone) O 1s region - fit with GL(30) lineshape
Poly(ether sulphone) O 1s region fit with a GL(30) Lineshape (Residual = 1.312)

 

O 1s peaks in polymers tend to be slightly more Lorentzian in nature than C 1s, and the classic GL(30) lineshape may not always provide the best fit. While it is possible to fit using a modified GL (e.g. GL50), one often finds it better to use the LA type lineshape for improved fits.

 

Poly(ether sulphone) O 1s region fit with GL(50) lineshape
Poly(ether sulphone) O 1s region fit with a GL(50) Lineshape (Residual = 1.249)

 

Poly(ether sulphone) O 1s region - fit with LA(1.53, 243) lineshape
Poly(ether sulphone) O 1s region fit with a GL(30) Lineshape (Residual = 0.8844)

Not available

References

  1. Hantsche, H. (1993), High resolution XPS of organic polymers, the scienta ESCA300 database. By G. Beamson and D. Briggs, Wiley, Chichester 1992, 295 pp., hardcover, £ 65.00, ISBN 0-471-93592-1. Adv. Mater., 5: 778-778. https://doi.org/10.1002/adma.19930051035

Oxygen

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Learn about Oxygen XPS Analysis of Metal Oxide Systems