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Cluster Model Studies of Condensed Phase Chemical Physics


EMSL Project ID
49062

Abstract

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.

Project Details

Start Date
2015-10-14
End Date
2016-09-30
Status
Closed

Team

Principal Investigator

Xuebin Wang
Institution
Pacific Northwest National Laboratory

Co-Investigator(s)

Marat Valiev
Institution
Environmental Molecular Sciences Laboratory

Related Publications

Beletskiy EV, XB Wang, and SR Kass. 2016. "Anion Binding of One-, Two-, and Three-Armed Thiourea Receptors Examined via Photoelectron Spectroscopy and Quantum Computations." Journal of Physical Chemistry A 120(42):8309-8316. doi:10.1021/acs.jpca.6b08438
Hou GL, B Chen, WJ Transue, D Hrovat, CC Cummins, W Borden, and XB Wang. 2016. "A joint experimental and computational study of the negative Ion photoelectron spectroscopy of 1-phospha-2,3,4-trizolate anion, HCPN3." Journal of Physical Chemistry A 120(31):6228-6235. doi:10. 1021/acs. jpca. 6b06343
Hou GL, LJ Li, SH Li, ZM Sun, X Gao, and XB Wang. 2016. "Regioisomer-specific electron affinities and electronic structures of C70 para-Adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical Study." Physical Chemistry Chemical Physics. PCCP 18(28):18683-18686. doi:10. 1039/c6cp03978b
Wang XB. 2017. "Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy." Journal of Physical Chemistry A 121(7):1389-1401. doi:10.1021/acs.jpca.6b09784