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Elsevier, Chemical Physics, 1-3(334), p. 85-89

DOI: 10.1016/j.chemphys.2007.02.014

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A quantum chemical study for the multichannel reaction PH2+PH2

Journal article published in 2007 by André S. Pimentel, Rommel B. Viana ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The PH2 + PH2 multichannel reaction path was proposed in this study. The transition state that connects the reactants to cis-P2H2 isomer was found for the first time ever. This process is not allowed to occur at ordinary conditions because of its high energy barrier, 70 kcal mol(-1). The PH2 + PH2 disproportionation to form the triplet PH3 radical is an exothermic and spontaneous reaction. The PH2 + PH2 reaction may also form the P2H4 molecule in the absence of surfaces. (c) 2007 Elsevier B.V. All rights reserved.