Lanthanum Atom-mediated Bond Activation, Coupling, And Cyclization Of 1,3-butadiene Probed By Mass-analyzed Threshold Ionization Spectroscopy

Hewage, Dilrukshi

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https://hdl.handle.net/2142/51131 Copy

Description

Title

Lanthanum Atom-mediated Bond Activation, Coupling, And Cyclization Of 1,3-butadiene Probed By Mass-analyzed Threshold Ionization Spectroscopy

Author(s)

Hewage, Dilrukshi

Contributor(s)

Yang, Dong-Sheng

Issue Date

2014-06-17

Keyword(s)

Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions

Abstract

Activation of small hydrocarbons by transition metal centers has gained much attention because of its applications in chemical catalysis. A series of La(\chem{C_nH_m}) complexes (n= 2, 4, 5 or 6 and m= 0, 2, 6, 5 or 8) were produced by La atom-mediated activation of 1,3-butadiene (\chem{CH_2=CH-CH=CH_2}) in a supersonic molecular beam. Molecular structures and electronic states of the reaction products were investigated by mass-analyzed threshold ionization spectroscopy and theoretical calculations. In this work we will discuss the formation, binding, and structures of La(\chem{C_2H_2}), La(\chem{C_4H_6}), and La(\chem{C_6H_6}). La(\chem{C_2H_2}) is formed by the C-C bond activation and H migration in a primary reaction; La(\chem{C_4H_6}), a metallacycle, is formed through an association reaction; and La(\chem{C_6H_6}) is produced by the C-C bond coupling and cyclization in a secondary reaction. The organic moiety in La(\chem{C_6H_6}) is a distorted benzene molecule. All three complexes have a two-fold metal binding mode and a doublet ground electronic state, with La(\chem{C_2H_2}) in C$_{2v}$ point group and La(\chem{C_4H_6}) and La(\chem{C_6H_6}) in C$_{s}$.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51131

DOI

https://doi.org/10.15278/isms.2014.TG05

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/

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