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Title:A JOINT THEORETICAL AND EXPERIMENTAL STUDY OF THE SiH2OO ISOMERIC SYSTEM
Author(s):McCarthy, Michael C
Contributor(s):Gauss, J゚rgen
Subject(s):Conformers, isomers, chirality, stereochemistry
Abstract:In contrast to the CH$_2$OO isomers, those of SiH$_2$OO have received relatively little attention, either theoretically or experimentally. High-level coupled cluster calculations predict a much different energy ordering in comparison to that found for CH$_2$OO, with the three conformers of Si-dihydroxycarbene, HOSiOH, most stable, followed by the Si-analogues of textit{cis} and textit{trans} formic acid, and then a cyclic isomer with $C_{2v}$ symmetry, $c$-SiH$_2$OO. Guided by these theoretical predictions, rotational lines of the textit{cis}, textit{trans} isomer of HOSiOH, as well as $c$-SiH$_2$OO, have been detected by Fourier transform microwave spectroscopy. The lines of the cyclic form are sufficiently strong that several rare isotopic species have also been found, enabling, in combination with calculated vibrational corrections, a precise semi-experimental structure to be derived. This talk will provide a status report on our joint study of this unusual isomeric system, and an update on searches for still other isomers.
Issue Date:23-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79302
Date Available in IDEALS:2016-01-05


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