Insights into 2-Chloropyrimidine fragmentation through a thermochemical analysis of the ionic fragments
The European Physical Journal DPublished 1 September 2014
Mattea Carmen Castrovilli, P. Bolognesi, A. Casavola, Antonella Cartoni, Daniele Catone, Patrick O’Keeffe
Citations8
SJR quartileQ3
SJR score0.32
SNIP0.66
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Abstract
\n In the present work we have studied the photoinduced ion chemistry of the 2Cl-pyrimidine\n molecule in the energy region 9−14 eV. The theoretical gas phase enthalpies of formation of the main\n fragments calculated using the G3B3 and G2 ab initio methods are compared to the\n experimental values, derived by the measured appearance energy of the fragments. This\n approach provides new insights into both the geometric structure of the ionic fragments\n and the basic mechanisms governing the molecular fragmentation.\n
Keywords
Chemistry
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