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Title:PHOTOELECTRON IMAGING SPECTROSCOPY AS A WINDOW TO UNEXPECTED MOLECULES
Author(s):Blackstone, Christopher C
Subject(s):Radicals
Abstract:Targeting an anion with the formula CH$_{3}$O$_{3}$ for exploration with photoelectron imaging spectroscopy, we determine its identity to be dihydroxymethanolate, an anion largely absent in the literature, and the conjugate base of the hypothetical species orthoformic acid. Comparing the observed photoelectron spectrum to CCSD-EOM-IP and CCSD-EOM-SF calculations completed in QChem and Franck-Condon overlap simulations in PESCAL, we are able to determine with confidence the connectivity of the atoms in this molecule.
Issue Date:6/22/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/97121
DOI:10.15278/isms.2017.RJ11
Date Available in IDEALS:2017-07-27


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