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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.more » « less
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Cao, Wenjin; Zhang, Hanhui; Yuan, Qinqin; Zhou, Xiaoguo; Kass, Steven R.; Wang, Xue-Bin (, The Journal of Physical Chemistry Letters)
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Cao, Wenjin; Zhang, Hanhui; Yuan, Qinqin; Zhou, Xiaoguo; Kass, Steven R.; Wang, Xue-Bin (, The Journal of Physical Chemistry Letters)null (Ed.)
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Zhang, Hanhui; Cao, Wenjin; Yuan, Qinqin; Zhou, Xiaoguo; Valiev, Marat; Kass, Steven R.; Wang, Xue-Bin (, The Journal of Physical Chemistry Letters)
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