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Structural characterization of metalloporphyrins in complex systems such asnative hydrocarbons is in the focus of scientific and industrial interestssince many years. We describe electron-nuclear double resonance (ENDOR) ofcrude oil from the well without any additional sample treatment (i.e., in thenative environment) in the magnetic field of about 3.4 T and temperature of 50K by applying microwave pulses at 94 GHz (W-band) and radiofrequency pulses atnear the proton Larmor frequencies of 144 MHz to probe the paramagneticvanadyls. By means of density functional theory (DFT) calculations, ENDORfeatures are explained and ascribed to certain vanadyl porhyrin structuralforms known to be present in crude oil.

energy and fuels

In-situ identification of various structural features of vanadyl  porphyrins in crude oil by high-field (3.4 T) ENDOR spectroscopy combined  with DFT calculations