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Title:REACTIVE INTERMEDIATES IN 4He NANODROPLETS: INFRARED LASER STARK SPECTROSCOPY OF DIHYDROXYCARBENE
Author(s):Broderick, Bernadette M.
Contributor(s):Stanton, John F.; McCaslin, Laura; Douberly, Gary E.; Moradi, Christopher P.
Subject(s):Cold/Ultracold/Matrices/Droplets
Abstract:Singlet dihydroxycarbene (HOCOH) is produced via pyrolytic decomposition of oxalic acid, captured by helium nanodroplets, and probed with infrared laser Stark spectroscopy. Rovibrational bands in the OH stretch region are assigned to either trans,trans- or textit{trans},textit{cis}- rotamers on the basis of symmetry type, nuclear spin statistical weights, and comparisons to electronic structure theory calculations. Stark spectroscopy provides the inertial components of the permanent electric dipole moments for these rotamers. The dipole components for textit{trans},textit{trans}- and textit{trans},textit{cis}- rotamers are ($mu$$_{a}$, $mu$$_{b}$) = (0.00, 0.68(6)) and (1.63(3), 1.50(5)), respectively. The infrared spectra lack evidence for the higher energy textit{cis},textit{cis}- rotamer, which is consistent with a previously proposed pyrolytic decomposition mechanism of oxalic acid and computations of HOCOH torsional interconversion and tautomerization barriers.
Issue Date:25-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79222
Date Available in IDEALS:2016-01-05


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