Cluster Model Studies of Condensed Phase Phenomena Using Temperature-Controlled Photoelectron Spectroscopy
EMSL Project ID
42309
Abstract
This program is aimed at obtaining a microscopic understanding of solution chemistry and solvation of negatively charged ions using cluster models in the gas phase. Our primary experimental technique is photoelectron spectroscopy coupled with electrospray ionization. Experimental and ab initio calculations are combined to 1) obtain a molecular-level understanding of the solvation and stabilization of singly and multiply charged anions important in the condensed phase; 2) understand the molecular processes and initial steps of dissolution of salt molecules in polar solvents; 3) probe the structure and dynamics of solution and air/solution interface. A central theme of this research program lies at obtaining a molecular-level understanding of environmental materials and solution chemistry, which is important to address issues related to waste storage, subsurface and atmospheric contaminant transport, and other primary DOE missions.
Project Details
Project type
Exploratory Research
Start Date
2010-10-01
End Date
2011-10-03
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Murdachaew G, M Valiev, SM Kathmann, and XB Wang. 2012. "Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions." Journal of Physical Chemistry A 116(9):2055-2061. doi: 10.1021/jp3012848
Shokri A, JC Schmidt, XB Wang, and SR Kass. 2012. "Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds." Journal of the American Chemical Society 134(4):2094-2099. doi:10.1021/ja2081907