Gas phase hydration of organic ions

被引:17
作者
Momoh, Paul O. [1 ]
El-Shall, M. Samy [1 ]
机构
[1] Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA
关键词
D O I
10.1039/b809440n
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
In this work, we study the hydration phenomenon on a molecular level in the gas phase where a selected number of water molecules can interact with the organic ion of interest. The stepwise binding energies (Delta H-n-1,n(circle)) of 1-7 water molecules to the phenyl acetylene cation are determined by equilibrium measurements using an ion mobility drift cell. The stepwise hydration energies Delta H-n-1,n(circle) are nearly constant at 39.7 +/- 6.3 kJ mol(-1) from n = 1 to 7. The entropy change is larger in the n = 7 step, suggesting cyclic or cage-like water structures. No water addition is observed on the ionized phenyl acetylene trimer consistent with cyclization of the trimer ion to form triphenyl benzene cations C24H18 center dot+ which are expected to interact weakly with the water molecules due to steric interactions and the delocalization of the charge on the large organic ion. The work demonstrates that hydration studies of organic ions can provide structural information on the organic ions.
引用
收藏
页码:4827 / 4834
页数:8
相关论文
共 24 条
[1]   INTERSTELLAR POLYCYCLIC AROMATIC-HYDROCARBONS AND CARBON IN INTERPLANETARY DUST PARTICLES AND METEORITES [J].
ALLAMANDOLA, LJ ;
SANDFORD, SA ;
WOPENKA, B .
SCIENCE, 1987, 237 (4810) :56-59
[2]  
Ben-Naim A., 1980, HYDROPHOBIC INTERACT
[3]   Infrared Space Observatory's discovery of C4H2, C6H2, and benzene in CRL 618 [J].
Cernicharo, J ;
Heras, AM ;
Tielens, AGGM ;
Pardo, JR ;
Herpin, F ;
Guélin, M ;
Waters, LBFM .
ASTROPHYSICAL JOURNAL, 2001, 546 (02) :L123-L126
[4]  
Conway B.E., 1981, Ionic Hydration in Chemistry and Biophysics
[5]  
Frisch M. J., 2004, GAUSSIAN 03
[6]   Resonant ion-dip infrared spectroscopy of the S4 and D2d wafer octamers in benzene-(water)8 and benzene2-(water)8 [J].
Gruenloh, CJ ;
Carney, JR ;
Hagemeister, FC ;
Arrington, CA ;
Zwier, TS ;
Fredericks, SY ;
Wood, JT ;
Jordan, KD .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (16) :6601-6614
[7]   Stepwise hydration and multibody deprotonation with steep negative temperature dependence in the benzene•+-water system [J].
Ibrahim, Y ;
Alsharaeh, E ;
Dias, K ;
Meot-Ner, M ;
El-Shall, MS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (40) :12766-12767
[8]   Hydrogen bonding interactions of Pyridine•+ with water:: Stepwise solvation of distonic cations [J].
Ibrahim, Yehia ;
Mabrouki, Ridha ;
Meot-Ner, Michael ;
El-Shall, M. Samy .
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (06) :1006-1014
[9]   Stepwise hydration of ionized aromatics. Energies, structures of the hydrated benzene cation, and the mechanism of deprotonation reactions [J].
Ibrahim, YM ;
Mautner, MMN ;
Alshraeh, EH ;
El-Shall, MS ;
Scheiner, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (19) :7053-7064
[10]  
Jeffrey GA., 1997, An Introduction to Hydrogen Bonding