nMo– Clusters: Measurements, Calculations, and Theoretical Analysis]]>

摘要

Results of photoelectron spectroscopy measurements and density functional theory complemented with correction scheme calculations on electron binding energy (EBE) spectra of anionic Al_(n )Mo, n = 3–5 and 7, clusters are presented and analyzed. The analysis points to the important role of dynamical fluxionality and multiplicity of structural forms as contributing factors in the measured spectra. Using the example of Al_(4)Mo~(–) as a paradigmatic case, the separate roles of size, structure/symmetry, and composition in evolving the EBE spectra of precursor pure clusters (in this case, Al_(4)~(–) and Al_(5)~(–)) into those of bimetallic clusters are demonstrated utilizing a new methodology we developed recently (J. Phys. Chem. C 2017 , 121 , 16665).