Water-assisted proton transfer in the monomer of 7-azaindole

Citation
De. Folmer et al., Water-assisted proton transfer in the monomer of 7-azaindole, J PHYS CH A, 104(45), 2000, pp. 10545-10549
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
45
Year of publication
2000
Pages
10545 - 10549
Database
ISI
SICI code
1089-5639(20001116)104:45<10545:WPTITM>2.0.ZU;2-U
Abstract
Ultrafast pump-probe spectroscopic studies on the hydrated 7-azaindole mono mer are presented. The experiments provide evidence that excited-state prot on transfer in the gas-phase hydrated 7-azaindole monomer may be possible, as predicted by theory, and can occur by means of a water proton bridge. As explained in the text, full tautomerization may not be occurring, but rath er the transfer of a proton from the 7-azaindole monomer to the solvating w ater molecules. A calculated geometry fur the structure of 7-azaindole clus tered with four waters is presented and used to explain the rate increase o bserved in this species compared to the 7-azaindole monomer clustered with two and three waters.