Abstract

A targeted new dioxo molybdenum(VI) ONO Schiff base complex was prepared for catalyzing epoxidation of olefins in water. This complex was characterized by FT-IR, NMR, UV–Vis, and X-ray crystallography techniques. DFT calculations are additionally performed to find ground and transition states for finding electronic structure and UV–Vis assignment. Afterward, a new protocol was defined for sustainable catalytic epoxidation of olefin in water using this complex as a green catalyst, and also remarkable results are obtained, such as turn over number up to 1400.

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