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Creators/Authors contains: "Cao, Wenjin"

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  1. Free, publicly-accessible full text available December 20, 2025
  2. We report a joint negative ion photoelectron spectroscopy (NIPES) and quantum chemical computational study on glycine-chloride/bromide complexes (denoted Gly·X−, X = Cl/Br) in close comparison to the previously studied Gly·I− cluster ion. Combining experimental NIPE spectra and theoretical calculations, various Gly·X− complexes were found to adopt the same types of low-lying isomers, albeit with different relative energies. Despite more congested spectral profiles for Gly·Cl− and Gly·Br−, spectral assignments were accomplished with the guidance of the knowledge learned from Gly·I−, where a larger spin–orbit splitting of iodine afforded well-resolved, recognizable spectral peaks. Three canonical plus one zwitterionic isomer for Gly·Cl− and four canonical conformers for Gly·Br− were experimentally identified and characterized in contrast to the five canonical ones observed for Gly·I− under similar experimental conditions. Taken together, this study investigates both genericity and variations in binding patterns for the complexes composed of glycine and various halides, demonstrating that iodide-tagging is an effective spectroscopic means to unravel diverse ion-molecule binding motifs for cluster anions with congested spectral bands by substituting the respective ion with iodide. 
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  3. null (Ed.)