Journal of the American Chemical Society, Vol.118, No.42, 10242-10249, 1996
Reactions of Laser-Ablated Be and Mg Atoms with C2H2 - Infrared-Spectra and Density-Functional Calculations of Novel Metal-Acetylene Species
Reactions of laser-ablated Be and Mg atoms with C2H2, (C2H2)-C-13, and C2D2 upon condensation in excess argon at 10 K give new infrared absorptions that are assigned to the insertion and decomposition products HBeCCH, BeCCH, and MgCCH with the help of density functional theory isotopic frequency calculations. The 2819-cm(-1) C=C stretching fundamental for BeCCH is between values for BCCH and AlCCH, which are all slightly blue shifted from acetylene itself.
Keywords:ELECTRON-SPIN-RESONANCE;HYDROGEN-FLUORIDE COMPLEXES;SOLID ARGON;MATRIX-ISOLATION;ETHYLENE;MOLECULES;ALUMINUM;SPECTROSCOPY;PHOTOLYSIS;VINYLIDENE