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/content/aip/journal/jcp/135/10/10.1063/1.3638690
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/content/aip/journal/jcp/135/10/10.1063/1.3638690
2011-09-12
2016-09-26

Abstract

The radical anion resulting from electron capture by diacetonyl molecule has been characterized by EPR and optical absorptionspectroscopy in glassy ether matrices at 77 K. In non-polar alkane glasses this species was not observed under the same conditions, which confirms the crucial role of matrix interactions in stabilizing this species. Calculations at the MP2 level show the vertical detachment energy to increase gradually from roughly zero for a bare anion to ∼1 eV for the complex involving six ether molecules.

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