The Cl3+ cation was obtained by chlorine chemical ionization (Cl2/CI) via the exothermic reaction of Cl+ transfer from Cl2H+ to chlorine or by the endothermic reaction of Cl2+· with chlorine, whereas Cl2F+ 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.
Gaseous Cl3+ and Cl2F+ cations. A joint mass spectrometric and theoretical study / Cacace, Fulvio; DE PETRIS, Giulia; Pepi, Federico; M., Rosi; A., Sgamellotti. - In: RAPID COMMUNICATIONS IN MASS SPECTROMETRY. - ISSN 0951-4198. - STAMPA. - 12:23(1998), pp. 1911-1913. [10.1002/(SICI)1097-0231(19981215)12:23<1911::AID-RCM398>3.0.CO;2-2]
Gaseous Cl3+ and Cl2F+ cations. A joint mass spectrometric and theoretical study.
CACACE, Fulvio;DE PETRIS, GIULIA;PEPI, Federico;
1998
Abstract
The Cl3+ cation was obtained by chlorine chemical ionization (Cl2/CI) via the exothermic reaction of Cl+ transfer from Cl2H+ to chlorine or by the endothermic reaction of Cl2+· with chlorine, whereas Cl2F+ 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
