Csp3-Cl bond Activation Promoted by a Methylplatinum(II) Complex: Synthesis, Structural Characterization, and Density Functional Approach to Oxidative Addition Reaction with Dichloromethane

Publish Year: 1399
نوع سند: مقاله ژورنالی
زبان: English
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JR_ICR-4-2_001

تاریخ نمایه سازی: 22 دی 1399

Abstract:

Dimethylplatinum(II) complex [PtMe2(pbt)], 1, with pbt = 2(2pyridyl)benzothiazole ligand, can react with dichloromethane solvent to give the corresponding organoplatinum(IV) complex [Pt(Cl)(CH2Cl)Me2(pbt)]. The reaction gives exclusively trans addition product in which Cl and CH2Cl are located trans to each other. The suggested mechanism for this oxidative addition reaction was computationally investigated and related species during this process are proposed. DFT calculations show that the reaction proceeds through a transition state with the energy barrier of 97.5 kJ/mol. Attempts to grow crystals of the Pt(II) complex 1 in CH2Cl2/nhexane mixture of solvents forms the dichloro Pt(IV) complex [PtCl2Me2(bpt)], which its structure is determined by X-ray crystallography.

Authors

Fatemeh Niroomand Hosseini

Department of Chemistry, Shiraz Branch, Islamic Azad University, Shiraz ۷۱۹۹۳-۳۷۶۳۵, Iran

Fatemeh Niknam

Department of Chemistry, Shiraz University, Shiraz, Iran