Theoretical Study for Stabilizing Group 14 Elements by Five Different Carbene Ligands as L-E-E-L Complexes

Authors

DOI:

https://doi.org/10.23851/mjs.v35i2.1395

Keywords:

Main group compounds, Phosphorus carbenes, Bonding motifs, Electron donation, Theoretical Study

Abstract

Background: The computational calculations have been employed as a great tool to understand the stabilization of main group species by carbene ligands, which have been recognized as excellent compounds for coordinating highly reactive main-group elements in their zero oxidation state. Objective: The most important results that have been published up to now shown that N-Heterocyclic carbene and Cyclic (Alkyl)(Amino)Carbene ligands can stabilize main group compounds as highly stable complexes. Methods: That led us to further theoretically investigate the possibility of expanding this feature with phosphorus carbenes which have more electron contributing ability. Results: The bonding condition of the E2L2 molecules (where E is group 14 main group elements and L is Carbene ligands) may be understood in depth due to the combination of two ligands with two groups of 14 elements. The combination provides a guideline for synthesizing molecules with novel bonding motifs. Two atoms of group 14 are stabilized by two donor ligands in this bonding picture. In contrast to the E=E bonds seen in nitrogen carbene complexes, all phosphorus carbene complexes exhibit the E=L double bond character notation L=EE=L. L acts as a strong donor ligand in this complex. Conclusions: the thermodynamic calculations and orbital analysis can predict that complexes of L=E−E=L are stable enough to become isolated in a condensed phase for all compounds.

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Key Dates

Received

09-05-2023

Revised

15-08-2023

Accepted

30-08-2023

Published

30-06-2024

Data Availability Statement

None

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Section

Original Article

How to Cite

[1]
K. H. M. AL FURAIJI and S. B. Jasim, “Theoretical Study for Stabilizing Group 14 Elements by Five Different Carbene Ligands as L-E-E-L Complexes”, Al-Mustansiriyah J. Sci., vol. 35, no. 2, pp. 25–36, Jun. 2024, doi: 10.23851/mjs.v35i2.1395.

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