We report infrared photodissociation spectra of manganese\textendashCO2\ cluster anions, [Mn(CO2)n]-\ (n\ = 2\textendash10) to probe structural motifs characterizing the interaction between Mn and CO2\ in the presence of an excess electron. We interpret the experimental spectra through comparison with infrared spectra predicted from density functional theory calculations. The cluster anions consist of core ions combining a Mn atom with a variety of ligands, solvated by additional CO2\ molecules. Structural motifs of ligands evolve with increasing cluster size from simple monodentate and bidentate CO2\ ligands to oxalate ligands and combinations of these structural themes.
BT - The Journal of Physical Chemistry A DA - 2017-09 DO - 10.1021/acs.jpca.7b06870 N2 -We report infrared photodissociation spectra of manganese\textendashCO2\ cluster anions, [Mn(CO2)n]-\ (n\ = 2\textendash10) to probe structural motifs characterizing the interaction between Mn and CO2\ in the presence of an excess electron. We interpret the experimental spectra through comparison with infrared spectra predicted from density functional theory calculations. The cluster anions consist of core ions combining a Mn atom with a variety of ligands, solvated by additional CO2\ molecules. Structural motifs of ligands evolve with increasing cluster size from simple monodentate and bidentate CO2\ ligands to oxalate ligands and combinations of these structural themes.
PY - 2017 SP - 7534 EP - 7542 T2 - The Journal of Physical Chemistry A TI - Interaction of CO2 with Atomic Manganese in the Presence of an Excess Negative Charge Probed by Infrared Spectroscopy of [Mn(CO2)n]- Clusters UR - http://pubs.acs.org/doi/10.1021/acs.jpca.7b06870 VL - 121 SN - 1089-5639 ER -