Spectroscopy and formation of lanthanum-hydrocarbon radicals formed by C—C bond cleavage and coupling of propene
作者： Dilrukshi Hewage , Wenjin Cao , Sudesh Kumari , Ruchira Silva , Tao Hong Li
DOI: 10.1063/1.4982949
关键词:
摘要: La reaction with propene is carried out in a laser-vaporization molecular beam source. Three La-hydrocarbon radicals are characterized by mass-analyzed threshold ionization (MATI) spectroscopy. One of these methylenelanthanum [La(CH2)] (Cs), Schrock-type metal carbene. The other two five-membered 1-lanthanacyclopent-3-en [La(CH2CHCHCH2)] (Cs) and tetrahedron-like trimethylenemethanelanthanum [La(C(CH2)3)] (C3v). Adiabatic energies metal-ligand stretching hydrocarbon-based bending frequencies species measured from the MATI spectra, preferred structures electronic states identified comparing experimental measurements spectral simulations, pathways for formation metal-hydrocarbon investigated density functional theory calculations. All three prefer doublet ground 6s1-based valence electron configurations, singly charged cations favor singlet generate...
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