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Issue 33, 2015
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Stability and bonding of new superalkali phosphide species

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New superalkali phosphide species with the molecular formulas F2Li3P, F2Li3P2, and F4Li6P were investigated. Using the CBS-QB3 composite method to optimize geometry and energetic parameters, four monophosphides, two diphosphides, and one disuperalkali phosphide were discovered that contain intriguing structural features, including hyperlithiation, phosphorus–phosphorus bonds, and planar tetracoordinated phosphorus. It is believed that these features lend to the stability of these structures and may warrant further experimental investigation of these phosphide species to determine if they could play some role in the development of novel chemical reactions and/or materials.

Graphical abstract: Stability and bonding of new superalkali phosphide species

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Publication details

The article was received on 16 Jun 2015, accepted on 21 Jul 2015 and first published on 22 Jul 2015

Article type: Paper
DOI: 10.1039/C5DT02277K
Dalton Trans., 2015,44, 14753-14762

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    Stability and bonding of new superalkali phosphide species

    E. Cochran, G. Muller and G. Meloni, Dalton Trans., 2015, 44, 14753
    DOI: 10.1039/C5DT02277K

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