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Gaseous Cl3+ and Cl2F+ cations. a joint mass spectrometric and theoretical study

✍ Scribed by Fulvio Cacace; Giulia de Petris; Federico Pepi; Marzio Rosi; Antonio Sgamellotti

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 46 KB
Volume: 12
Category: Article
ISSN: 0951-4198
DOI: 10.1002/(sici)1097-0231(19981215)12:23<1911::aid-rcm398>3.0.co;2-2

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✦ Synopsis

The Cl 3 cation was obtained by chlorine chemical ionization (Cl 2 /CI) via the exothermic reaction of Cl transfer from Cl 2 H to chlorine or by the endothermic reaction of Cl 2 Á with chlorine, whereas Cl 2 F was obtained from the reaction of XeF with chlorine. Both cations were structurally and energetically characterized by Fourier transform ion cyclotron resonance mass spectrometry and theoretical calculations at the B3LYP/6-311 G(3df,3pd)// CCSD(T)/cc-pVQZ levels of theory.

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