The role played by the vanadyl porphyrinate as a dopant for zeolites in the re®nement process of crude oil is analysed using DFT calculations. The pair formed by the vanadium atom and its bonded oxygen atoms seems to be the responsible items in the dopant reaction. However, the present paper shows the participation of the vanadium atom as being the most important.
Revised: January 23, 2012 |
Published: June 15, 2001
Citation
Salcedo R., L. Martinez, and J.M. Martinez-Magadan. 2001.Theoretical Study of High-Valent Vanadium Oxo-Porphyrins as a Dopant of Crude Oil.Journal of Molecular Structure - Theochem 542, no. 1-3:115-121.