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- Title
Theoretical Study for Stabilizing Group 14 Elements by Five Different Carbene Ligands as L-E-E-L Complexes.
- Authors
Al Furaiji, Khalidah H. M.; Jasim, Sarah Badri
- 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.
- Subjects
GROUP 14 elements; PHOSPHORUS compounds; DOUBLE bonds; CONDENSED matter; OXIDATION states
- Publication
Al-Mustansiriyah Journal of Science, 2024, Vol 35, Issue 2, p25
- ISSN
1814-635X
- Publication type
Article
- DOI
10.23851/mjs.v35i2.1395