The gas-phase ion chemistry of BF3/NH3 mixtures was investigated by the joint application of mass-spectrometric techniques and theoretical methods. The addition of BF2+ to NH3 led to the first observation of [BF2,NH3]+ and [BF,NH2]+ ions. Diamidoboron cation B(NH2)2+ was also detected. Consistent with collisionally activated dissociation (CAD) mass spectrometric results, theoretical calculations performed at the B3LYP and CCSD(T) levels identified the F2B?NH3+, FB?NH2+, and NH2?B?NH2+ ions as the most stable isomers on the corresponding potential energy surfaces. The F2B?NH3+ ion represents the protonated form of aminodifluoroborane, BF2NH2, and consequently behaves as a Brønsted acid under FT-ICR conditions. The FBNH2+ ion is able to add Lewis bases such as water, ammonia, and hydrazoic acid. These species, containing the BN moiety, may represent new promising projectile ions in the boron nitride deposition techniques involving high-energy ion beams.

Gas-Phase Ion Chemistry of BF3/NH3 Mixtures / Pepi, Federico; Ricci, Andreina; Garzoli, Stefania; Rosi, M.. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - 110:(2006), pp. 12427-12434. [10.1021/jp0648036]

Gas-Phase Ion Chemistry of BF3/NH3 Mixtures

PEPI, Federico;RICCI, Andreina;GARZOLI, STEFANIA;
2006

Abstract

The gas-phase ion chemistry of BF3/NH3 mixtures was investigated by the joint application of mass-spectrometric techniques and theoretical methods. The addition of BF2+ to NH3 led to the first observation of [BF2,NH3]+ and [BF,NH2]+ ions. Diamidoboron cation B(NH2)2+ was also detected. Consistent with collisionally activated dissociation (CAD) mass spectrometric results, theoretical calculations performed at the B3LYP and CCSD(T) levels identified the F2B?NH3+, FB?NH2+, and NH2?B?NH2+ ions as the most stable isomers on the corresponding potential energy surfaces. The F2B?NH3+ ion represents the protonated form of aminodifluoroborane, BF2NH2, and consequently behaves as a Brønsted acid under FT-ICR conditions. The FBNH2+ ion is able to add Lewis bases such as water, ammonia, and hydrazoic acid. These species, containing the BN moiety, may represent new promising projectile ions in the boron nitride deposition techniques involving high-energy ion beams.
2006
01 Pubblicazione su rivista::01a Articolo in rivista
Gas-Phase Ion Chemistry of BF3/NH3 Mixtures / Pepi, Federico; Ricci, Andreina; Garzoli, Stefania; Rosi, M.. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - 110:(2006), pp. 12427-12434. [10.1021/jp0648036]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/240698
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