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Proton transfer and tautomerism in an excited state of methyl salicylate

✍ Scribed by Goodman, J.; Brus, L. E.

Book ID
124080750
Publisher
American Chemical Society
Year
1978
Tongue
English
Weight
379 KB
Volume
100
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES

Proton transfer in salicylic acid excite
Proton transfer in salicylic acid excited states
✍ Javier CatalΓ‘n; Francisco TomΓ‘s πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science βš– 421 KB

## Born-Oppenheimer surfaces for the lowest excited states of salicylic acid are calculated using the CND0/2-CI method. Analysis of the reaction coordinate for proton transfer indicates that the zwitterion is formed via the 'S(n, z\*) excited state, while the triplet state presents a high potentia