Related Experiment Video
Updated: Jun 8, 2026

Light-driven Enzymatic Decarboxylation
Published on: May 22, 2016
A DFT study on the Pd-mediated decarboxylation process of aryl carboxylic acids
Liqin Xue1, Weiping Su, Zhenyang Lin
1Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China.
Abstract:
Decarboxylation process in a series of PdL(2)X(η(2)-OOCAr(R)) complexes 2OS(R) (L = DMSO; X = OOCCF(3)(-); R = H, OMe, NO(2), Me and CN) with substituent R at an ortho, meta or para position were investigated with the aid of density functional theory calculations. Through our study, we found that the OOCCF(3)(-) ligand is not just a spectator ligand but assists the decarboxylation process. The results indicated that electron-donating substituents have greater promotion effect than electron-withdrawing substituents on the decarboxylation process. An ortho substituent in the substrate ligands OOCAr(R)(-) is normally necessary for a successful decarboxylation. The reason behind this has been explained.
Related Concept Videos
Loss of Carboxy Group as CO2: Decarboxylation of β-Ketoacids
Loss of Carboxy Group as CO2: Decarboxylation of Malonic Acid Derivatives
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
Carboxylic Acids to Methylesters: Alkylation using Diazomethane
NMR and Mass Spectroscopy of Carboxylic Acids
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the disappearance of the acidic...
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...

