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Theoretical Insights into Novel Telluro-ketones
Published: 29 October 2012 by MDPI in The 16th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
Abstract: Telluroformaldehyde (H2C=Te), silanetellone (H2Si=Te) and germatellone (H2Ge=Te) are novel heavy congeners of formaldehyde commonly known as telluro-ketones. Knowledge of the properties of such compounds is significant for a better understanding of the contribution of heavier main group elements in organometallic chemistry, and the ability of such ketones to form complexes of bio-organometallic importance. In 1983, telluroformaldehyde (H2C=Te), was first stabilized by coordination to transition-metal centers but the synthesis and isolation of tellurium containing heavy ketones are still elusive. Following our interest in telluro-ketones, we reported the structures and energetics of X2E=Te and XYE=Te (E=C and Si and X, Y=H, F, Cl, Br, I and CN) molecules, but their stabilities have always been questioned. Thus, in order to diminish the skepticism of experimental communities, thermodynamic and kinetic stabilities of the mentioned telluro-ketones have been endeavored using state-of-the-art computations. Moreover, a careful attempt has been made to study the stabilization of the E=Te double bond using bulky substituents such as 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl (Tbt), 2,4,6-triisopropylphenyl (Tip) and the Lewis donor-acceptor ligands. The findings of this research work should serve as a good reference for the scrutinized novel telluro-ketones and also assist their synthesis and applications in future.
Keywords: Telluro-ketones, Energetics, Structures and Stabilities