Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
-
Free, publicly-accessible full text available December 20, 2025
-
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
An official website of the United States government
