Dipole-bound anions of glycine based on the zwitterion and neutral structures

Citation
M. Gutowski et al., Dipole-bound anions of glycine based on the zwitterion and neutral structures, J AM CHEM S, 122(41), 2000, pp. 10159-10162
Citations number
28
Categorie Soggetti
Chemistry & Analysis",Chemistry
Journal title
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN journal
00027863 → ACNP
Volume
122
Issue
41
Year of publication
2000
Pages
10159 - 10162
Database
ISI
SICI code
0002-7863(20001018)122:41<10159:DAOGBO>2.0.ZU;2-R
Abstract
The instability of the zwitterion structure of glycine is significantly red uced by the attachment of an excess electron as a result of which a local m inimum develops on the anionic potential energy surface for the zwitterion structure. However, the global anionic minimum, which is lower by 9 kcal/mo l, corresponds to a singly hydrogen-bonded nonzwitterion structure. The ver tical electron detachment energies for these two dipole-bound zwitterion an d nonzwitterion structures are 3175 and 668 cm(-1), respectively.