Reactions of Manganese and Rhenium Atoms with NO. Infrared Spectra and Density Functional Calculations of η~1 and η~2 Addition and Insertion Reaction Products

摘要

Reactions of thermal and laser-ablated Mn atoms with NO produce the Mn-(η~1-NO)_x complexes (x = 1-3), a series of η~2 complexes, and in addition, laser-ablated Mn gives the NMnO insertion product. The C_(2v) complex Mn(NO)_2 is identified from symmetric (a_1) and antisymmetric (b_2) N-O ligand stretching models, which gave triplet mixed isotopic spectra and excellent agreement with DFT calculations. The Mn(NO)_3 complex is shown to have C_(3v) symmetry through the observation of mixed isotopic spectra for four vibrational modes, including the symmetric (a_1) and antisymmetric (e) N-O ligand stretching modes and a match with DFT calculations of isotopic frequencies. Laser-ablated Re gave similar major products.