Journal of Applied Spectroscopy

, Volume 85, Issue 1, pp 27–31 | Cite as

Near Infrared Spectroscopic Identification of Alkyl Aromatic Esters and Phenyl Ketones

  • D. V. Nelyubov
  • D. A. Vazhenin
  • A. A. Kudriavtsev
  • A. Yu. Buzolina

Bands characterizing the content of carbon atoms in alkyl (7177–7205 cm–1) and phenyl structural fragments (9175–9192 cm–1) in organic molecules were revealed by studying the near infrared spectra of such compounds. The optical density at the maxima of these absorption bands was shown to depend strongly on the fraction of carbon atoms in the corresponding fragments. The developed models proved to be adequate for determining the fraction of carbon atoms in alkyl aromatic esters and phenyl ketones. The feasibility of modeling the molecular structure of alkyl aromatic esters using regression models was demonstrated for the product of the condensation of oleic acid and benzyl alcohol.


near infrared spectroscopy IR spectroscopy cryoscopy structural group composition structural fragment antiwear additives antioxidant additives 


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© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  • D. V. Nelyubov
    • 1
  • D. A. Vazhenin
    • 2
  • A. A. Kudriavtsev
    • 2
  • A. Yu. Buzolina
    • 2
  1. 1.25th State Research Institute of ChemmotologyMinistry of Defense of the Russian FederationMoscowRussia
  2. 2.Tyumen State UniversityTyumenRussia

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