How we can answer in a precise and technical manner the question, chemical structure of PANI, and correlation with the FTIR, XPS, and Raman results.?

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Jürgen Weippert

I mean, as much as I like XPS as a method, I am not sure it's going to help you a lot on this issue. It can give you an idea about the coordination of the heteroatoms, but I wouldn't expect too many spectacular infos here.

The vibrational spectroscopy methods, on the other hand, might help you when you support them with an MD/FTTCF calculation, see

Article Vibrational Raman Spectra from the Self-Consistent Charge De...

Sajjad Janfaza

FTIR, XPS, and Raman spectroscopy are commonly used to analyze the chemical structure of PANI. FTIR can provide information on the functional groups present in PANI, such as the C-N stretching and N-H bending vibrations. XPS can be used to determine the elemental composition of the material and the oxidation states of nitrogen and carbon. Raman spectroscopy can provide information on the bonding between atoms in the polymer, such as the C=C and C-N stretching modes.

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