The gas-phase interactions of TEMPO radicals with Fe+ ions

Kazazić, Snježana.P; Klasinc, Leo; Rožman, Marko; Srzić, Dunja (2008) The gas-phase interactions of TEMPO radicals with Fe+ ions. Rapid Communications in Mass Spectrometry, 22 (13). pp. 2104-2108. ISSN 0951-4198

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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/rcm.359...

Abstract

The gas phase ligation of 2, 2, 6, 6-tetramethyl-piperidyl-1-oxide (TEMPO) radical (1) and its 4- hydroxy- derivative (2) with Fe+ ions in a 3T FT ICR mass spectrometer was investigated. Triple ligation may occur: the first ligation produces a transient species prone to either charge exchange or a stable second ligation ; the third ligand adds slowly, with fragmentation. 1 and 2 differ in that 1 binds exclusively at the nitroxyl oxygen while 2 also binds at the OH site after the loss of a H-radical. Calculations combined with steric considerations support such a mechanism for 2. The site and the mechanism of the important side reaction of 1 that involves OH addition from a water impurity to yield an FeR2+ species remain unexplained.

Item Type:

Article

Additional Information:

"This is the peer reviewed version of the following article: Kazazić, Snježana.P; Klasinc, Leo; Rožman, Marko; Srzić, Dunja (2008) The gas-phase interactions of TEMPO radicals with Fe+ ions. Rapid Communications in Mass Spectrometry, 22 (13). pp. 2104-2108. ISSN 0951-4198, which has been published in final form http://onlinelibrary.wiley.com/doi/10.1002/rcm.3596/full . This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving."

Uncontrolled Keywords:

LDI FTMS; TEMPO; DFT calculations; metal ion ligation

Subjects:

NATURAL SCIENCES > Chemistry

Divisions:

Division of Physical Chemistry

Projects: