Lanthanum- and Cerium-Mediated C-H Activation: Spectroscopy, Structures, and Formation of Metal-Containing Intermediates

This article examines vibronic spectra, isomeric structures, and formation of transient metal complexes produced in La- and Ce-mediated C-H activation reactions of hydrocarbon compounds in the gas phase. The hydrocarbon compounds include small alkenes, alkynes, and alkadienes. Molecular masses of metal complexes are measured with time-of-flight mass spectrometry, vibronic spectra are probed with mass-analyzed threshold ionization (MATI) spectroscopy, and isomeric structures are determined by comparing experimental and computational vibronic spectra, and plausible reaction pathways for the formation of specific isomers are investigated by quantum chemical calculations.