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Title:Yttrium-assisted C-H and C-C bond activation of ethylene probed by mass-analyzed threshold ionization spectroscopy
Author(s):Kim, Jong Hyun
Contributor(s):Yang, Dong-Sheng
Subject(s):Metal containing
Abstract:The reaction between Y atom and ethylene (CH$_{2}$=CH$_{2}$) was performed in a laser-ablation supersonic molecular beam source. Y(C$_{2}$H$_{2}$), Y(C$_{2}$H$_{4}$), and Y(C$_{4}$H$_{6}$) were observed by time-of-flight mass spectrometry and investigated with mass-analyzed threshold ionization (MATI) spectroscopy and theoretical calculations. Y(C$_{2}$H$_{2}$) is formed by hydrogen elimination, Y(C$_{2}$H$_{4}$) by simple association, and La(C$_{4}$H$_{6}$) by C-C bond coupling and dehydrogenation. Both Y(C$_{2}$H$_{2}$) and Y(C$_{2}$H$_{4}$) have a C$_{2v}$ triangular structure with a C=C double bond in Y(C$_{2}$H$_{2}$) and a C-C single bond in Y(C$_{2}$H$_{4}$). Y(C$_{4}$H$_{6}$) has a five-membered metallacyclic structure (C$_{s}$) with Y binding to the two terminal carbon atoms of butene, which is the exactly same as that of Y(C$_{4}$H$_{6}$) formed in the Y + 1-butene reaction. For all three complexes, ionization has a small effect on the metal-carbon bond lengths because the rejected electron has basically a Y 5s character. The adiabatic ionization energies are measured to be 45679(5) \wn for Y(C$_{2}$H$_{2}$), 45603(5) \wn for Y(C$_{2}$H$_{4}$) and 43475(5) \wn for Y(C$_{4}$H$_{6}$). The metal-ligand stretching frequencies of the three complexes are also measured from the MATI spectra.
Issue Date:2016-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper/Presentation
Rights Information:Copyright 2016 by the authors
Date Available in IDEALS:2016-08-22

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