Interconversion between Planar-Triangle, Trigonal-Pyramid and Tetrahedral Configurations of Boron (B(OH)3 -B(OH)4- ), Carbon (CH3+ -CH3X) and for the Group 15 Elements as Nitrogen (NH3-NH4+ ). A Modelling Description with Ab Initio Results and Pressure-Induced Experimental Evidence

摘要: Recently a mechanistic understanding of the pressure-and/or temperature-induced coordination change boron in borosilicate glass has been demonstrated by Edwards et al. In situ high-pressure 11B solid-state NMR spectroscopy used combination with ab initio calculations order to obtain insight molecular geometry for pressure-induced conversion. The results indicate deformation B(OH)3 planar triangle, under isotropic stress, into trigonal pyramid that serves as precursor formation tetrahedral configuration. From our point view, controlling out-of-plane transition accompanied D3h C3v geometric is an interesting transformation because it matches description based on Van’t Hoff modelling carbon CH3X substitution X nucleophiles via bipyramid state which transferred present methyl triangle “cation”. and have also applied dynamics transient positively charged pyramidal configuration trivalent cation. Finally same model configurations NH3 group 15 elements their nucleophilic abilities.