Gas-Phase Reactions between Urea and Ca 2+ : The Importance of Coulomb Explosions
The gas-phase reactions between urea and Ca2+ have been investigated by means of electrospray mass spectrometry techniques. The MS/MS spectra of [Ca(urea)]2+ and [Ca(urea-H)]+ complexes show that both ions decompose by losing NH3 and HNCO. However, for the [Ca(urea)]2+ system, additional intense peaks are observed at m/z 44, 56, and 82. Density functional theory calculations at the B3-LYP/cc-pWCVTZ level have been used to help rationalize these observations through an examination of the...[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of Physical Chemistry A|
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