title: Negative ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexes.
abstract: Negative ions of copper-aspartic acid Cu(Asp)(-) and its hydrated complexes have been produced in the gas phase and studied by anion photoelectron spectroscopy. The vertical detachment energies (VDE) of Cu(Asp)(-) and Cu(Asp)(-)(H(2)O)(1,2) were determined to be 1.6, 1.95, and 2.20 eV, respectively. The spectral profiles of Cu(Asp)(-)(H(2)O)(1) and Cu(Asp)(-)(H(2)O)(2) closely resembled that of Cu(Asp)(-), indicating that hydration had not changed the structure of Cu(Asp)(-) significantly. The successive shifts to higher electron binding energies by the spectra of the hydrated species provided measures of their stepwise solvation energies. Density functional calculations were performed on anionic Cu(Asp)(-) and on its corresponding neutral. The agreement between the calculated and measured VDE values implied that the structure of the Cu(Asp)(-) complex originated with a zwitterionic form of aspartic acid in which a copper atom had inserted into the N-H bond.
authors.affiliation: Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
authors.forename: Xiang
authors.initials: X
authors.lastname: Li
authors.forename: Haopeng
authors.initials: H
authors.lastname: Wang
authors.forename: Kit H
authors.initials: KH
authors.lastname: Bowen
authors.forename: Ana
authors.initials: A
authors.lastname: Martínez
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Salpin
authors.forename: Jean-Pierre
authors.initials: JP
authors.lastname: Schermann
mesh_terms: D000465:Algorithms; D000838:Anions / Q000737:chemistry*; D001224:Aspartic Acid / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D004583:Electrons; D006859:Hydrogen / Q000737:chemistry; D009584:Nitrogen / Q000737:chemistry; D056951:Photoelectron Spectroscopy; D011789:Quantum Theory; D012997:Solvents / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: D000838:Anions; D012997:Solvents; D014867:Water; D001224:Aspartic Acid; D003300:Copper; D006859:Hydrogen; D009584:Nitrogen