Abstract
| - The reaction of ground-state Pd atoms with NO during condensation in solid argon has been reinvestigated.The Pd(η-NO) molecule, already characterized in reactions of laser-ablated Pd, is the only product observedfor the reaction between one Pd atom and one nitric oxide molecule. Isotopic data on ν1, ν2, and ν3 have beenmeasured in the mid- and far-infrared regions. These enable an independent estimate of the molecular shapeon the basis of complete harmonic force-field calculations. The molecule is bent, with a Pd−N−O bondangle around 115 ± 15°, in basic agreement with theoretical predictions. This study provides a useful test forcomparing the performance of various quantum mechanical methods for reproducing the spectroscopicproperties. The bonding in Pd- and NiNO is analyzed using natural bonding orbital and topological methods.
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