THRESHOLD IONIZATION SPECTROSCOPY OF La(CH3CN) AND La(C4H9CN) RADICALS FORMED BY La REACTIONS WITH ALKANE NITRILES

Ullah, Ahamed

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

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

6/23/2017

Keyword(s)

Ions

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

Language

English

Permalink

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

DOI

10.15278/isms.2017.FE02

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