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The decomposition of copper(I)–NHC and silver-NHC complexes in solution under air was studied. The Cu(I)–NHCs were oxidized into urea derivatives and hydrolysed into imidazoliums or benzimidazoliums. The decomposition of Ag–NHC with a saturated backbone led to ring-opening product, while the Ag–NHC with an unsaturated backbone led to imidazolium and Ag-bisNHC complex. The effects of steric property, hydrophilicity, and binding energy of NHC to O 2 and H 2 O on the decomposition of Cu(I)–NHC were studied using theoretical calculations. Steric hindrance played an important role on the stability of Cu(I)–NHC. Pathways for the decomposition of Cu(I)–NHC and Ag–NHC were proposed. To create your abstract, type over the instructions in the template box below. Fonts or abstract dimensions should not be changed or altered. Image 1 • Decomposition of Cu(I)–NHC and Ag–NHC under air was studied.. • Decomposition of Cu(I)–NHC led to urea and hydrolysis products.. • Theoretical calculations were used to study the decomposition of Cu(I)–NHC.. • Decomposition of Ag–NHC led to ring-opening product or regenerated NHC precursor.. • This article provides a method to study the decomposition of metal-NHC under air.. [ABSTRACT FROM AUTHOR]