University of Illinois Urbana-Champaign

Threshold ionization spectroscopy of La(CH3CN) and La(C4H9CN) radicals formed by La reactions with alkane nitriles

Ullah, Ahamed

Content Files
2573.pdf
944291.pptx

Permalink

https://hdl.handle.net/2142/96955

Description

Title
Threshold ionization spectroscopy of La(CH3CN) and La(C4H9CN) radicals formed by La reactions with alkane nitriles
Author(s)
Ullah, Ahamed
Contributor(s)
  • Yang, Dong-Sheng
  • Cao, Wenjin
  • Kim, Jong Hyun
Issue Date
2017-06-23
Keyword(s)
Ions
Date of Ingest
  • 2017-07-27T20:15:22Z
  • 2018-01-29T23:02:23Z
Abstract
La atom reactions with acetonitrile (CH$_{3}$CN) and pentanenitrile (C$_{4}$H$_{9}$CN) are carried out in a laser-vaporization supersonic molecular beam source. Metal-containing species are observed using time-of-flight mass spectrometry. In this talk, we report the mass-analyzed threshold ionization (MATI) spectroscopic characterization of two metal-containing radicals, La(CH$_{3}$CN) and La(C$_{4}$H$_{9}$CN), formed by La associations with acetonitrile and pentanenitrile, respectively. Adiabatic ionization energies of the two La-alkane nitrile species and their vibrational frequencies are measured from the MATI spectra. Metal-ligand binding modes and molecular structures are investigated by comparing the spectroscopic measurements with density functional theory calculations and spectral simulations. For both alkane nitriles, the preferred La binding site is identified to be the nitrile group with a $pi$-bind mode, the resultant metal complexes are three-membered metallacycles. While a single isomer is observed for La(CH$_{3}$CN), two rotational conformers are identified for La(C$_{4}$H$_{9}$CN). The binding and structures of these metal-alkane nitrile radicals are different from those formed by metal ion reactions, where metal ions were reported to favor $sigma$_x000d_ binding with the nitrogen atom.footnote{K. Eller, W. Zummack, H. Schwarz, L. M. Roth, B. S. Freiser, textit{J. Am. Chem. Soc.}, textbf{1991}, textit{113}, 833-839}
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/96955
DOI
https://doi.org/10.15278/isms.2017.FE02
Copyright and License Information
Copyright 2017 Ahamed Ullah

Owning Collections

Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY