15min:
DEHYROGENATION OF ETHYLENE: SPECTROSCOPY AND STRUCTURES OF La(C2H2) AND La(C4H6) COMPLEXES.

SUDESH KUMARI, MOURAD ROUDJANE AND DONG-SHENG YANG, Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055.

Hydrogen elimination is observed in the reaction of laser-ablated La atoms and ethylene (C2H4) in a pulsed molecular beam source. Dehydrogenated products, La(C2H2) and La(C4H6), 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(C2H2) is determined as a triangle (C2v) in the 2A2 ground electronic state, where La binds with C2H2 in a two-fold mode ( eta2). La(C4H6) is identified as a diligand species with La being sandwiched between C2H2 and C2H4, each in a two-fold binding mode, and the complex is in the 2A1 ground electronic state. The adiabatic ionization energies of La( eta2-C2H2) and La( eta2-C2H2)( eta2-C2H4) are measured to be 41174(5) and 39405(5) cm-1, respectively. La+-C2H2 and La+-C4H6 stretching and C-H bending frequencies of the corresponding ions are also determined, and the vibrational assignments are confirmed with deuterated ethylene measurements.