Abstract
Supramolecular, molecular and electronic structures of petroleum resins are studied. The experimental part includes isolation of resins by the eluent method and measuring electron and IR spectra. The structural parameters are calculated by molecular mechanics and DFT/B3LYP methods. The calculated data are in good agreement with the experiment. The nonplanar structure of petroleum resins is confirmed by the results of our structural study.
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Original Russian Text © 2018 S. A. Shutkova, M. Yu. Dolomatov, M. M. Dolomatova, A. M. Petrov, I. R. Kharudinov.
Translated from Zhurnal Strukturnoi Khimii, Vol. 59, No. 3, pp. 573–578, March-April, 2018.
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Shutkova, S.A., Dolomatov, M.Y., Dolomatova, M.M. et al. Structural and Chemical Characteristics of Model Molecular Fragments of Petroleum Resins. J Struct Chem 59, 550–554 (2018). https://doi.org/10.1134/S0022476618030071
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DOI: https://doi.org/10.1134/S0022476618030071