Phenyl (C$_6$H$_5$) is the prototypical aryl radical, and is thought to be a critical intermediate for soot formation in combustion environments and a precursor to the formation of PAHs in space.
Despite the fundamental importance of this species, its molecular structure has never been measured experimentally.
We have measured the rotational spectra of C$_6$H$_5$ and all of its singly-substituted D and $^{13}$C isotopologues in the 170--190 and 250--270 GHz bands in a positive column discharge of dilute benzene (or C$_6$H$_5$D/$^{13}$CC$_5$H$_6$) in Ar.
The experimentally determined rotational constants were combined with zero point vibrational and electronic corrections calculated at the CCSD(T) level of theory to derive the semi-experimental equilibrium structure ($r_e^{emp}$).
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/50996
DOI
https://doi.org/10.15278/isms.2014.WJ11
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Use this login method if you
don't
have an
@illinois.edu
email address.
(Oops, I do have one)
IDEALS migrated to a new platform on June 23, 2022. If you created
your account prior to this date, you will have to reset your password
using the forgot-password link below.
WJ11_Abstract.pdf
WJ11_Abstract.txt
WJ11_Presentation.pptx