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Dipole-Bound Anions of Glycine Based on the Zwitterion and Neutral Structures

2000; American Chemical Society; Volume: 122; Issue: 41 Linguagem: Inglês

10.1021/ja001658f

1943-2984

Maciej Gutowski, Piotr Skurski, Jack Simons,

Mass Spectrometry Techniques and Applications

The instability of the zwitterion structure of glycine is significantly reduced by the attachment of an excess electron as a result of which a local minimum develops on the anionic potential energy surface for the zwitterion structure. However, the global anionic minimum, which is lower by 9 kcal/mol, corresponds to a singly hydrogen-bonded nonzwitterion structure. The vertical electron detachment energies for these two dipole-bound zwitterion and nonzwitterion structures are 3175 and 668 cm-1, respectively.