Different products have been observed in the reactions ofC5H5Co+ andC5H5Ni+ ions with halogen-substituted pyridines (XPy) that have been studied by ion trap mass spectrometry (ITMS) techniques.In particular,an addition product C5H5M(XPy)+and a product ion C5H4M(Py)+ corresponding to a loss of a HX molecule(X =F,Cl,Br)havebeen detected. Acomputational study at the DFT level on model-systems formed by 2-fluoro and 2-bromopyridine reacting either with the C5H5Ni+ or the C5H5Co+ ion has been carried out. This study shows the existence of a general mechanistic pattern. The rate-determining step of this mechanism is the migration of the halogen from the pyridine ring to the metal. A final hydrogen abstraction step carried out by the halogen leads to the expulsion of a HX molecule.

Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study / G.P. Miscione; S. Torroni; G. Innorta; A. Bottoni. - In: INORGANICA CHIMICA ACTA. - ISSN 0020-1693. - STAMPA. - 360:(2007), pp. 1170-1182. [10.1016/j.ica.2006.09.019]

Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study

MISCIONE, GIAN PIETRO;TORRONI, SANDRO;INNORTA, GIUSEPPE;BOTTONI, ANDREA
2007

Abstract

Different products have been observed in the reactions ofC5H5Co+ andC5H5Ni+ ions with halogen-substituted pyridines (XPy) that have been studied by ion trap mass spectrometry (ITMS) techniques.In particular,an addition product C5H5M(XPy)+and a product ion C5H4M(Py)+ corresponding to a loss of a HX molecule(X =F,Cl,Br)havebeen detected. Acomputational study at the DFT level on model-systems formed by 2-fluoro and 2-bromopyridine reacting either with the C5H5Ni+ or the C5H5Co+ ion has been carried out. This study shows the existence of a general mechanistic pattern. The rate-determining step of this mechanism is the migration of the halogen from the pyridine ring to the metal. A final hydrogen abstraction step carried out by the halogen leads to the expulsion of a HX molecule.
2007
Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study / G.P. Miscione; S. Torroni; G. Innorta; A. Bottoni. - In: INORGANICA CHIMICA ACTA. - ISSN 0020-1693. - STAMPA. - 360:(2007), pp. 1170-1182. [10.1016/j.ica.2006.09.019]
G.P. Miscione; S. Torroni; G. Innorta; A. Bottoni
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/35073
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 2
  • ???jsp.display-item.citation.isi??? 2
social impact