Silver(I) dicyanonitrosomethanide, Ag[ONC(CN)2] complex as catalyst for the selective oxidation of styrene to benzaldehyde

Mohamed Iqbal, Mohammad Anwar and Nazri, Muhammad Zulhelmi and Ahmad, Mohammad Norazmi and Abdullah, Erna Normaya and Mohamad Haziz, Umie Fatihah and Razali, Mohd Rizal and Adam, Farook (2020) Silver(I) dicyanonitrosomethanide, Ag[ONC(CN)2] complex as catalyst for the selective oxidation of styrene to benzaldehyde. Science Letters, 14 (2). pp. 74-87. ISSN 1675-7785 E-ISSN 2682-8626

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Abstract

Silver(I) dicyanonitrosomethanide, Ag[ONC(CN)2] represent a 3D interwoven coordination polymer organization in which all the donor atoms of the functional groups of ONC(CN)2- are coordinated to the Ag(I). Oxidation of styrene utilizing H2O2 as an oxidant in acetonitrile (CH3CN) was used as a model reaction to investigate the catalytic potential of the Ag(I) complex. The CH3CN was chosen as the solvent based on the data collected from Conductor like Screening Model for Real Solvents (COSMO-RS) study. The data indicate that the Ag[ONC(CN)2] complex was compatible and soluble in CH3CN. Different parameters such as styrene:H2O2 molar ratio, reaction time, catalyst mass, and reaction temperature were studied. Highest styrene conversion (36%) with 100% selectivity towards benzaldehyde (BZ) was achieved when 25 mg catalyst, 1:1 styrene to H2O2 molar ratio were used. The reaction was carried out at 303 K for 3 h. The catalytic conversion of styrene to BZ is proposed to take place via [Ag-H2O2] adduct with styrene oxide (StO) as an intermediate. Molecular Electrostatic Potential (MEP) shows that the Ag atom has the highest probability to coordinate with the oxygen atom of H2O2. The MEP data confirms the proposed mechanism.

Item Type:	Article (Journal)
Additional Information:	7148/80908
Uncontrolled Keywords:	Styrene oxidation; Silver(I) dicyanonitrosomethanide; COSMO-RS; Molecular electrostatic potential (MEP)
Subjects:	Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Science Kulliyyah of Science > Department of Chemistry
Depositing User:	Dr Mohammad Norazmi Ahmad
Date Deposited:	18 Jun 2020 15:28
Last Modified:	19 Jun 2020 10:59
URI:	http://irep.iium.edu.my/id/eprint/80908

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