Computer Science
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..conferj01k&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Computer Science
Radicals And Ions
Scientific paper
Hydrogen elimination is observed in the reaction of laser-ablated La atoms and ethylene (C_2H_4) in a pulsed molecular beam source. Dehydrogenated products, La(C_2H_2) and La(C_4H_6), are identified by time-of-flight mass spectrometry and studied by pulsed-field-ionization zero-electron kinetic energy spectroscopy and density functional theory calculations. La(C_2H_2) is determined as a triangle (C2v) in the ^2A_2 ground electronic state, where La binds with C_2H_2 in a two-fold mode (η^2). La(C_4H_6) is identified as a diligand species with La being sandwiched between C_2H_2 and C_2H_4, each in a two-fold binding mode, and the complex is in the ^2A_1 ground electronic state. The adiabatic ionization energies of La(η^2-C_2H_2) and La(η^2-C_2H_2)(η^2-C_2H_4) are measured to be 41174(5) and 39405(5) Cm-1, respectively. La^+-C_2H_2 and La^+-C_4H_6 stretching and C-H bending frequencies of the corresponding ions are also determined, and the vibrational assignments are confirmed with deuterated ethylene measurements.
Kumari Sudesh
Roudjane Mourad
Yang Dong-Sheng
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