Visualizing lone pairs in compounds containing heavier congeners of the carbon and nitrogen group elements

Journal of Chemical Sciences

Ram Seshadri1¹ 

[1] Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India$$

关键词: Main group elements;    lone pairs;    stereochemistry;    ferroelectricity.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

In this mini-review, I discuss some recent work on the stereochemistry and bonding of lone pairs of electrons in divalent compounds of the heavier carbon group elements (SnII, PbII) and in trivalent compounds of the heavier nitrogen group elements (BiIII). Recently developed methods that permit the real-space visualization of bonding patterns on the basis of density functional calculations of electronic structure, reveal details of the nature of selectron lone pairs in compounds of the heavier main group elements - their stereochemistry and their inertness (or lack thereof). An examination of tetragonal 𝑃4/𝑛𝑚𝑚 SnO, 𝛼-PbO and BiOF, and cubic 𝐹𝑚$ar{3}$𝑚 PbS provides a segue into perovskite phases of technological significance, including ferroelectric PbTiO3 and antiferroelectric/piezoelectric PbZrO3, in both of which the lone pairs on Pb atoms play a pivotal rôle.

【 授权许可】

Unknown