Cluster Model Studies of Condensed Phase Phenomena
EMSL Project ID
48136
Abstract
This is a request for continuing a previous program (proposal ID 47711) which was closed on September 30, 2013. This program is focused on obtaining a microscopic understanding of solution chemistry and solvation of negatively charged ions using cluster models in the gas phase via combined low temperature photoelectron spectroscopy (PES) and theoretical computations. Electrospray ionization (ESI) is used to produce solvated clusters from solution samples. Our focus is on the solvation of complex multiply charged anions, and molecular ionic clusters. Microscopic information on the solvation and stabilization of these anions is important for understanding solution chemistry and properties of inorganic materials or atmospheric aerosols. We have extended our research by developing an ESI-PES apparatus with a capability of cooling and controlling ion temperature. We have applied this new apparatus to systematically study the electronic stability of a series of multiply-charged anions. High-resolution PES spectra of anions important to the environment and biology were recorded at low temperatures. Temperature dependent PES investigations of solvated anions manifest many essential factors dictating the solvation energetic and dynamics, such as entropy effect, confirmation change and the balance between the anion-solvent, solvent-solvent interactions.
Project Details
Start Date
2013-10-14
End Date
2014-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Deng S, X Kong, and XB Wang. 2015. "Probing the early stages of salt nucleation—experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions." Journal of Chemical Physics 142(2):Article No. 024313. doi:10.1063/1.4905266
Samet M, X-B Wang, and SR Kass. 2014. "A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability." The Journal of Physical Chemistry A. doi:10.1021/jp505308v
Zhang J, B Zhou, Z Sun, and XB Wang. 2015. "Photoelectron Spectroscopy and Theoretical Studies of Anion-pi Interactions: Binding Strength and Anion Specificity." Physical Chemistry Chemical Physics. PCCP 17(5):3131-3141. doi:10.1039/C4CP04687K