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Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

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Planar and Pyramidal Pentacoordinate Selenium Atoms.

Luz Diego¹, Alejandro Vásquez-Espinal², Rafael Islas^3,4

¹Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, Av. República 275, Santiago, Chile.

Chemistry (Weinheim an Der Bergstrasse, Germany)

|November 24, 2025

Summary

This summary is machine-generated.

Computational studies reveal stable planar pentacoordinate selenium (ppSe) in dianionic systems. These structures are stabilized by electrostatic interactions and geometric confinement, not aromaticity, expanding main-group chemistry bonding motifs.

Keywords:

chemical bond hypercoordination planarity selenium

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Published on: July 27, 2022

Area of Science:

Computational Chemistry
Main-Group Chemistry
Inorganic Chemistry

Background:

Planar pentacoordinate main-group elements are rare and theoretically challenging.
Investigating novel bonding motifs is crucial for expanding chemical understanding.

Purpose of the Study:

To systematically explore the computational viability of planar pentacoordinate selenium (ppSe) in dianionic systems SeM5X5 2-.
To identify stable configurations and understand the factors governing ppSe stabilization.

Main Methods:

Systematic computational exploration of SeM5X5 2- systems.
Density Functional Theory (DFT) calculations.
Bonding analysis and magnetic response calculations.

Main Results:

Ten of twenty SeM5X5 2- combinations adopt planar or pyramidal structures.
Four combinations exhibit true global minima with a ppSe center.
Stabilization is attributed to geometric confinement and strong electrostatic interactions, not aromaticity.

Conclusions:

Planar pentacoordinate selenium is viable in specific dianionic environments.
These systems exhibit highly localized electronic structures, distinct from aromatic hypercoordinate compounds.
The findings expand the known scope of nonclassical bonding motifs in main-group chemistry.