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Title:Infrared spectrum of fulvenallene and fulvenallenyl
Author(s):Brown, Alaina R.
Contributor(s):Douberly, Gary E.; Brice, Joseph T.
Subject(s):Radicals
Abstract:Fulvenallene (C$_{7}$H$_{6}$) and the fulvenallenyl (C$_{7}$H$_{5}$) radical are produced via thermal dissociation of phthalide in a continuous-wave SiC pyrolysis furnace. Prompt pick-up and solvation by helium droplets allows for well-resolved vibrational spectra of these species in the CH stretching region. The acetylenic CH stretch of the fulvenallenyl radical is a sensitive marker of the extent by which the unpaired electron is delocalized throughout the conjugated propargyl and cyclopentadienyl subunits. The nature of this electron delocalization is explored with spin density calculations at the CCSD(T)/ANO1 level of theory.
Issue Date:2016-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper/Presentation
Type:Text
Language:En
URI:http://hdl.handle.net/2142/91388
Rights Information:Copyright 2016 by the authors
Date Available in IDEALS:2016-08-22


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