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Macrocyclic Sulfur Ligand Stabilized Trans ‐Palladium Dichloride Complex: Syntheses, Structure, Chlorine Rotation, and Application in α ‐Olefination of Nitriles by Primary Alcohols by Sunil Kumar; Ashutosh Sharma; Suman Mahala; K. Gaatha; S. Rajagopala Reddy; Tanmay Rom; Avijit Kumar Paul; Partha Roy; Hemant Joshi is a Chemistry article available to read on EtoBox.

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Herein, we have reported synthesis of a macrocyclic organosulfur ligand (L1) having seventeen‐membered macrocyclic ring. Subsequently, the corresponding trans‐palladium complex (C1) of bulky macrocyclic organosulfur ligand was synthesized by reacting it with PdCl2(CH3CN)2 salt. The newly synthesized ligand and complex were characterized using various analytical and spectroscopic techniques such as 1H, 13C{1H} Nuclear Magnetic Resonance (NMR), Ultraviolet–visible (UV‐Visible), Fourier Transform Infrared (FTIR) Spectroscopy, High‐Resolution Mass Spectrometry (HRMS), and elemental analysis. The binding mode of macrocyclic sulfur ligand with palladium was studied using single crystal X‐ray diffraction technique. The complex showed a square planar geometry with trans orientation of two ligands around the palladium center. The potential energy surface (PES) for the rotational process of C1 suggested a barrier of ~23.81 kcal/mol for chlorine rotation. Furthermore, the palladium complex (C1) was used as a catalyst(2.5 mol %) for α‐olefination of nitriles by primary alcohols. The α,β‐unsaturated nitrile compounds were found to be the major product of reaction (57‐78% yield) with broad subst

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Author

Sunil Kumar; Ashutosh Sharma; Suman Mahala; K. Gaatha; S. Rajagopala Reddy; Tanmay Rom; Avijit Kumar Paul; Partha Roy; Hemant Joshi

Publisher

Wiley

Published

2024

Language

EN

Field

Chemistry (Physical Sciences)