Lanthanum-Mediated C–H Bond Activation of Propyne and Identification of La(C3H2) Isomers
作者： Dilrukshi Hewage , Mourad Roudjane , W. Ruchira Silva , Sudesh Kumari , Dong-Sheng Yang
DOI: 10.1021/JP512777E
关键词:
摘要: η2-Propadienylidenelanthanum [La(η2-CCCH2)] and deprotiolanthanacyclobutadiene [La(HCCCH)] of La(C3H2) are identified from the reaction mixture neutral La atom activation propyne in gas phase. The two isomers characterized with mass-analyzed threshold ionization spectroscopy combined electronic structure calculations spectral simulations. La(η2-CCCH2) La(HCCCH) formed by concerted 1,3- 3,3-dehydrogenation, respectively. Both prefer a doublet ground state 6s-based unpaired electron, is slightly more stable than La(HCCCH). Ionization either isomer produces singlet ion removing La-based electron. geometry change upon results excitation symmetric metal–hydrocarbon stretching mode ionic state, whereas thermal leads to observation same state. Although formal oxidation +2, ioniza...
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