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

被引:57
作者
Folmer, DE
Wisniewski, ES
Stairs, JR
Castleman, AW [1 ]
机构
[1] Penn State Univ, Dept Chem, University Pk, PA 16802 USA
[2] Penn State Univ, Dept Phys, University Pk, PA 16802 USA
关键词
D O I
10.1021/jp0014263
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Ultrafast pump-probe spectroscopic studies on the hydrated 7-azaindole monomer are presented. The experiments provide evidence that excited-state proton 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 rather the transfer of a proton from the 7-azaindole monomer to the solvating water molecules. A calculated geometry fur the structure of 7-azaindole clustered with four waters is presented and used to explain the rate increase observed in this species compared to the 7-azaindole monomer clustered with two and three waters.
引用
收藏
页码:10545 / 10549
页数:5
相关论文
共 18 条
[1]   TUNNELING OF HEAVY-PARTICLES IN THE LOW-TEMPERATURE CHEMISTRY [J].
BENDERSKII, VA ;
GOLDANSKII, VI .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1992, 11 (01) :1-70
[2]   The ground and excited state hydrogen transfer potential energy surface in 7-azaindole [J].
Chaban, GM ;
Gordon, MS .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (01) :185-189
[3]   Femtosecond dynamics of a hydrogen-bonded model base pair in the condensed phase: Double proton transfer in 7-azaindole [J].
Chachisvilis, M ;
Fiebig, T ;
Douhal, A ;
Zewail, AH .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (04) :669-673
[4]   ACID CATALYSIS OF EXCITED-STATE DOUBLE-PROTON TRANSFER IN 7-AZAINDOLE [J].
CHANG, CP ;
HWANG, WC ;
KUO, MS ;
CHOU, PT ;
CLEMENTS, JH .
JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (35) :8801-8805
[5]   EXCITED-STATE TAUTOMERIZATION OF 7-AZAINDOLE IN WATER [J].
CHAPMAN, CF ;
MARONCELLI, M .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (21) :8430-8441
[6]   SOLVATION AND EXCITED-STATE PROTON-TRANSFER OF 7-AZAINDOLE IN ALCOHOLS [J].
CHEN, Y ;
GAI, F ;
PETRICH, JW .
CHEMICAL PHYSICS LETTERS, 1994, 222 (04) :329-334
[7]   MONOHYDRATE CATALYSIS OF EXCITED-STATE DOUBLE-PROTON TRANSFER IN 7-AZAINDOLE [J].
CHOU, PT ;
MARTINEZ, ML ;
COOPER, WC ;
MCMORROW, D ;
COLLINS, ST ;
KASHA, M .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (13) :5203-5205
[8]   FEMTOSECOND MOLECULAR-DYNAMICS OF TAUTOMERIZATION IN MODEL BASE-PAIRS [J].
DOUHAL, A ;
KIM, SK ;
ZEWAIL, AH .
NATURE, 1995, 378 (6554) :260-263
[9]   Femtosecond dynamics of double proton transfer in a model DNA base pair: 7-azaindole dimers in the condensed phase [J].
Fiebig, T ;
Chachisvilis, M ;
Manger, M ;
Zewail, AH ;
Douhal, A ;
Garcia-Ochoa, I ;
Ayuso, ADH .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (37) :7419-7431
[10]   Femtosecond cluster studies of the solvated 7-azaindole excited state double-proton transfer [J].
Folmer, DE ;
Wisniewski, ES ;
Hurley, SM ;
Castleman, AW .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1999, 96 (23) :12980-12986