Mass spectrometric analysis of fullerenes and dialane cationic clusters: Revealing magic sizes and stability trends.

Abstract

The stability of gas-phase clusters primarily depends on their size, with magic numbers exhibiting exceptional conformal stability due to symmetric or closed-shell configurations. This phase is ideal for analyzing intrinsic properties, that is, as cluster size increases, their behavior transitions from molecular to bulk-like. The characterization of these clusters has been facilitated by advancements in mass spectrometry, which has also played a crucial role in revealing the existence of magic numbers. In this study, helium nanodroplets-doped fullerenes C₆₀ are electron-impact ionized along with dialane Al2H6 using high-resolution mass spectrometry to analyze various abundance distributions, revealing significant local irregularities (anomalies). Mass spectra of dialane-tagged C₆₀⁺, that is, [C₆₀]_m[Al₂H₆]_n⁺, display anomalies at n = 4 and n = 8 across nearly all C₆₀ cluster sizes, indicating localized irregularities. Peaks other than these magic numbers exhibit antimagic behavior. These results highlight specific mass-to-charge ratios in cationic clusters, advancing our comprehension of these complex molecules and their potential applications in nanotechnology and chemistry.