Synthesis of bis[N,O-{2'-pyridyl-methanolate}]dioxomolybdenum(VI) epoxidation catalyst and novel crystal structure derived from X-ray diffraction and DFT calculations

Martos-Calvente R; O'Shea VAD; Campos-Martin JM; Fierro JLG; Gutierrez-Puebla E

Journal of Molecular Catalysis A-Chemical, Vol.214, No.2, 269-272, 2004

DOI10.1016/j.molcata.2003.12.023 Export Citation

Synthesis of bis[N,O-{2'-pyridyl-methanolate}]dioxomolybdenum(VI) epoxidation catalyst and novel crystal structure derived from X-ray diffraction and DFT calculations

Martos-Calvente R, O'Shea VAD, Campos-Martin JM, Fierro JLG, Gutierrez-Puebla E

The bis[N,O{2'-pyridyl-methanolate}] dioxomolybdenum(VI) complex was synthesized and its crystal structure determined by X-ray diffraction (XRD). and then confirmed by theoretical DFT calculations. This complex was subsequently used in the epoxidation reaction of 1-octene with ethylbenzene hydroperoxide in liquid phase and it showed slightly better performance than the molybdenum acetylacetonate complex as reference. (C) 2003 Elsevier B.V. All rights reserved.

Keywords:X-ray diffraction;bis[N,O-{2 '-pyridyl-methanolate}] dioxomolybdenum(VI);I-octene