Supporting Data for: Nickel Catalyzed Carbonylative Cross Coupling for Direct Access to Isotopically Labeled Alkyl Aryl Ketones

Introduction: This Dataverse entry contains supporting data for our journal article “Nickel Catalyzed Carbonylative Cross Coupling for Direct Access to Isotopically Labeled Alkyl Aryl Ketones” submitted for review. The dataset contains additional experimental and computational work performed to support the chemical process, which was not included in the manuscript. The dataset consists of two files: 1) 'Additional experimental and computational results.pdf', and 2) 'optimized_geometries_Ni.xyz'. The first file explains the experimental and computational techniques employed and the analysis to support the chemical reaction. The second file contains the XYZ structures of the computationally optimized geometries in the work. </p>