Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation

Hamed Mahmoudi; Mojtaba Bagherzadeh; Saeed Ataie; Reza Kia; Seyed Heydar Moravej; Maryam Zare; Paul R. Raithby; Francesco Ferlin; Luigi Vaccaro

doi:10.1016/j.ica.2020.119775

Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation

Hamed Mahmoudi, Mojtaba Bagherzadeh, Saeed Ataie, Reza Kia, Seyed Heydar Moravej, Maryam Zare, Paul R. Raithby, Francesco Ferlin, Luigi Vaccaro

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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.

Original language	English
Article number	119775
Journal	Inorganica Chimica Acta
Volume	511
Early online date	19 May 2020
DOIs	https://doi.org/10.1016/j.ica.2020.119775
Publication status	Published - 1 Oct 2020

Keywords

Crystal structure
DFT study
Epoxidation in water
Mo(VI) Schiff base
Sustainable catalysis

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/j.ica.2020.119775

Reza Inorg Chim Acta 2020 author accepted version Accepted author manuscript, 807 KBLicence: CC BY-NC-ND

Cite this

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title = "Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation",

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.",

keywords = "Crystal structure, DFT study, Epoxidation in water, Mo(VI) Schiff base, Sustainable catalysis",

author = "Hamed Mahmoudi and Mojtaba Bagherzadeh and Saeed Ataie and Reza Kia and {Heydar Moravej}, Seyed and Maryam Zare and Raithby, {Paul R.} and Francesco Ferlin and Luigi Vaccaro",

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doi = "10.1016/j.ica.2020.119775",

language = "English",

volume = "511",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier",

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T1 - Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex

T2 - Design of a new catalytic system for sustainable olefin epoxidation

AU - Mahmoudi, Hamed

AU - Bagherzadeh, Mojtaba

AU - Ataie, Saeed

AU - Kia, Reza

AU - Heydar Moravej, Seyed

AU - Zare, Maryam

AU - Raithby, Paul R.

AU - Ferlin, Francesco

AU - Vaccaro, Luigi

PY - 2020/10/1

Y1 - 2020/10/1

N2 - 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.

AB - 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.

KW - Crystal structure

KW - DFT study

KW - Epoxidation in water

KW - Mo(VI) Schiff base

KW - Sustainable catalysis

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DO - 10.1016/j.ica.2020.119775

M3 - Article

AN - SCOPUS:85086368453

SN - 0020-1693

VL - 511

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

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ER -

Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly

Avance NEO 500 MHz Nuclear Magnetic Resonance (NMR) Spectrometer (1South)

Dual source (Cu and Mo) Single Crystal Diffractometer (SuperNova)

HPLC System

Cite this

Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Projects

Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly

Equipment

Avance NEO 500 MHz Nuclear Magnetic Resonance (NMR) Spectrometer (1South)

Dual source (Cu and Mo) Single Crystal Diffractometer (SuperNova)

HPLC System

Cite this