Aluminum hydride cluster cations: A mass spectrometric and computational study

作者：Fontenot Victoria; Kiran Boggavarapu^*; Zhang Xinxing; Wang Haopeng; Gantefor Gerd; Bowen Kit^*

来源：International Journal of Mass Spectrometry, 2016, 408: 56-61.

DOI：10.1016/j.ijms.2016.08.004

• Mass spectrometry
• Aluminum hydride cations
• DFT

A combined study using mass spectrometry and density functional theory (DFT) was conducted to investigate aluminum hydride cluster cations, AlnHm+ (1 <= n <= 5, 0 <= m <= 12). The mass spectra revealed about 20 previously-unknown aluminum hydride cluster cations. Among these species, several showed high mass spectral intensities, suggesting that they had unusual stabilities. Density functional theory calculations were conducted to investigate the geometric structures of these clusters. Many of these clusters can be viewed as being composed of smaller, stable units, such as Al+, AIH(3), Al-2(+/0) and H-2.

• 出版日期2016-9-10