A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus

A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus

We report a computational study of an energetically favorable pathway for the excited-state dissociation of a tetrahedral P[subscript 4] molecule into two P[subscript 2] molecules via the simultaneous breaking of four chemical bonds along a highly symmetric (D[subscript 2d]) reaction pathway. Along...

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Bibliographic Details
Main Authors: Wang, Lee-Ping (Author), Tofan, Daniel (Contributor), Chen, Jiahao (Contributor), Van Voorhis, Troy (Contributor), Cummins, Christopher C. (Contributor)
Other Authors: Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory (Contributor), Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: Royal Society of Chemistry, 2014-10-20T12:46:55Z.
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