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Title:ELECTRON-WITHDRAWING EFFECTS ON THE MOLECULAR STRUCTURE OF 2- AND 3-NITROBENZONITRILE REVEALED BY BROADBAND MICROWAVE SPECTROSCOPY
Author(s):Graneek, Jack B.
Contributor(s):Schnell, Melanie
Subject(s):Structure determination
Abstract:Nitrobenzonitrile consists of two electron-withdrawing groups, which have negative inductive and mesomeric effects on the phenyl ring resulting in interesting physical properties. The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2$-$8 GHz. For both molecules, the main isotopologues and all isotopologues of the respective $^{13}$C-, $^{15}$N-, $^{18}$O-monosubstituted species in their natural abundance were assigned. These assignments allowed for the structural determination of 2- and 3-nitrobenzonitrile via Kraitchman's equations as well as a mass-dependent least-squares fitting approach. Structural changes caused by steric interaction and competition for the electron density of the phenyl ring highlight how these strong electron-withdrawing substituents affect one another according to their respective positions on the phenyl ring.
Issue Date:06/18/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100569
DOI:10.15278/isms.2018.ML04
Other Identifier(s):ML04
Date Available in IDEALS:2018-08-17
2018-12-12


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