A core-level electron spectroscopy study of gas-phase 1,2,3-benzotriazole and methyl derivatives.

A gas-phase photoelectron spectroscopy and X-ray absorption spectroscopy study of 1,2,3-benzotriazole and methyl derivatives was undertaken to investigate the influence of the tautomerism on the spectroscopic signature in greater detail. Soft X-ray photoelectron spectroscopy of the nitrogen core level, nitrogen K-edge near-edge X-ray absorption fine-structure measurements, and mapping of the resonant Auger spectroscopy were performed. High-energy ultraviolet photoemission spectroscopy was also undertaken to compare with the previous studies using low-energy low-energy Helium I and Helium II excitation. The gas-phase characterization is an essential step for interpreting adsorbed molecular phases and thin films on surfaces. The results also served as a test of STOBE density functional theory calculations, in particular the near edge.