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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
Subject(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$_{s}$.
Issue Date:2014-06-17
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Hewage, D.; Yang, D. LANTHANUM ATOM-MEDIATED BOND ACTIVATION, COUPLING, AND CYCLIZATION OF 1,3-BUTADIENE PROBED BY MASS-ANALYZED THRESHOLD IONIZATION SPECTROSCOPY. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.TG05
Genre:Conference Paper / Presentation
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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