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

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Abstract

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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Article information


Submitted
16 Jun 2015
Accepted
21 Jul 2015
First published
22 Jul 2015

Dalton Trans., 2015,44, 14753-14762
Article type
Paper

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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