Department of Chemistry, University of San Francisco, San Francisco, California 94117, USA.
Dalton Trans. 2015 Sep 7;44(33):14753-62. doi: 10.1039/c5dt02277k.
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.
研究了具有分子式 F2Li3P、F2Li3P2 和 F4Li6P 的新型超碱磷化。采用 CBS-QB3 复合方法优化几何形状和能量参数，发现了四种单磷化物、两种二磷化物和一种双超碱磷化，它们具有有趣的结构特征，包括超锂化、磷-磷键和平面四配位磷。人们相信这些特征赋予了这些结构的稳定性，并且可能需要进一步的实验研究这些磷化物，以确定它们是否可以在新型化学反应和/或材料的发展中发挥作用。
