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 abso rptions that are assigned to the insertion and decomposition products HBeCCH, BeCCH, and MgCCH with the help of density functional theory is otopic frequency calculations. The 2819-cm(-1) C=C stretching fundamen tal for BeCCH is between values for BCCH and AlCCH, which are all slig htly blue shifted from acetylene itself.