Structure and vibrations of BenOn (n = 3–10) clusters

The structure and harmonic vibrations of BenOn (n = 3–10) clusters have been investigated using density functional theory. All structures are found to be cumulenic Dnh rings (equal bonds, alternating angles), with one intense out of plane mode and three infrared-active degenerate modes, of which the highest one is extremely intense and asymptotically increases to 1597 cm−1 for n = 10. Comparisons with C2n clusters and BnNn clusters, the structure and bonding type for the BenOn clusters are consistent with those of the C2n (n = 3, 5, 7, …) clusters and the BnNn clusters.