Negative ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexes | Zendy

Xiang Li | Zendy; Haopeng Wang | Zendy; Kit H. Bowen | Zendy; Ana Martı́nez | Zendy; JeanYves Salpin | Zendy; JeanPierre Schermann | Zendy

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Negative ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexes

Author(s) -

Xiang Li,

Haopeng Wang,

Kit H. Bowen,

Ana Martı́nez,

JeanYves Salpin,

JeanPierre Schermann

Publication year - 2010

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3466923

Subject(s) - copper , chemistry , ion , x ray photoelectron spectroscopy , solvation , aspartic acid , crystallography , density functional theory , electron affinity (data page) , spectroscopy , molecule , computational chemistry , amino acid , nuclear magnetic resonance , organic chemistry , biochemistry , physics , quantum mechanics

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.

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