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

The structure and harmonic vibrations of GanNn (n = 3–10) clusters have been investigated using the B3LYP (Becke 3-parameter-Lee–Yang–Parr) 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 1029 cm−1 for n = 10. Comparisons with C2n, BnNn, and AlnNn clusters, the structure and bonding type for the GanNn (n = 3–10) clusters are consistent with those of the C2n (n = 3, 5, 7, …) clusters, the BnNn (n = 3–10), and AlnNn (n = 3–9) clusters.