An octacoordinated Nb atom in the NbAl8H8+ cluster

The NbAl8H8+ cluster was formed in a molecular beam and characterized by mass spectrometry and infrared spectroscopy. Density functional theory calculations show the lowest-energy isomer is a high symmetry singlet with the Nb atom placed at the center of a distorted hexagonal Al ring and coordinated by two AlH moieties, therefore exhibiting octacoordination. The unprecedented high-symmetric geometry is attributed to the 20 valence electrons; the central Nb atom adheres to the 18-electron rule and two additional delocalized electrons stabilize the hexagonal ring.

Publication year:2021

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BOF-publication weight:2

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Authors:International

Authors from:Higher Education

Accessibility:Open