## Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

TG05_Presentation.pptx (11MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

TG05_Abstract.pdf (19kB)
AbstractPDF

text/plain

TG05_Abstract.txt (1kB)
AbstractText file

## 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 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 Type: Text Language: English URI: http://hdl.handle.net/2142/51131 DOI: https://doi.org/10.15278/isms.2014.TG05 Rights Information: Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/ Date Available in IDEALS: 2014-09-172015-04-14
﻿