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Aluminum hydride cluster cations : a mass spectrometric and computational study

Aluminum hydride cluster cations : a mass spectrometric and computational study

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FONTENOT, Victoria, Boggavarapu KIRAN, Xinxing ZHANG, Haopeng WANG, Gerd GANTEFÖR, Kit BOWEN, 2016. Aluminum hydride cluster cations : a mass spectrometric and computational study. In: International Journal of Mass Spectrometry. 408, pp. 56-61. ISSN 1387-3806. eISSN 1873-2798. Available under: doi: 10.1016/j.ijms.2016.08.004

@article{Fontenot2016-09Alumi-35397, title={Aluminum hydride cluster cations : a mass spectrometric and computational study}, year={2016}, doi={10.1016/j.ijms.2016.08.004}, volume={408}, issn={1387-3806}, journal={International Journal of Mass Spectrometry}, pages={56--61}, author={Fontenot, Victoria and Kiran, Boggavarapu and Zhang, Xinxing and Wang, Haopeng and Ganteför, Gerd and Bowen, Kit} }

Wang, Haopeng 2016-09 Fontenot, Victoria eng Zhang, Xinxing Ganteför, Gerd A combined study using mass spectrometry and density functional theory (DFT) was conducted to investigate aluminum hydride cluster cations, Al<sub>n</sub>H<sub>m</sub><sup>+</sup> (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<sup>+</sup>, AlH<sub>3</sub>, Al<sub>2</sub><sup>+/0</sup>, H<sup>+</sup> and H<sub>2</sub>. Kiran, Boggavarapu Ganteför, Gerd Bowen, Kit 2016-09-23T09:38:44Z Zhang, Xinxing Bowen, Kit Fontenot, Victoria Wang, Haopeng Kiran, Boggavarapu Aluminum hydride cluster cations : a mass spectrometric and computational study 2016-09-23T09:38:44Z

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