NEXAFS spectroscopy and site-specific fragmentation of N-methylformamide, N,N-dimethylformamide, and N,N-dimethylacetamide

J Chem Phys. 2016 Jun 28;144(24):244310. doi: 10.1063/1.4954704.

Abstract

Near-edge X-ray absorption fine-structure (NEXAFS) spectra measured at the C, N, and O K-edges for three molecules containing the amide moiety, N-methylformamide (HCONHCH3), N,N-dimethylformamide (HCON(CH3)2), and N,N-dimethylacetamide (CH3CON(CH3)2) are presented. These molecules have similar structures and differ by the number of methyl groups located at the molecular ends. The fragmentation of these molecules after resonant excitation at different K-edge resonances is also investigated, using a 3D-ion imaging time-of-flight spectrometer. A comparison between the molecules with respect to the relative contributions of the fragments created upon excitation at distinct resonances reveals site-specific fragmentation. Further information about the character of the core-excitation and dissociation process is obtained from the angular distributions of the ion fragments.