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Carbon Atom - DOAJ

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Last Updated: 03 October 2022

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Kinetic Stability of Si 2 C 5 H 2 Isomer with a Planar Tetracoordinate Carbon Atom

[3. 7. 0. 0 1, 3], densiyl's global minimum geometry of Si 2 C 5 H 2 with a planar tetracoordinate carbon atom, 2,7-diyl, has been experimentally investigated using density functional theory and coupled-cluster techniques. Through a single transition state, dissociation of a Si-C bond attached to the ptC atom results in the formation of 4,7-disilabicyclo[4. 1. 0]hept-1,4-dien-2-yn-7-ylidene. The dissociation of a C-C bond linked to the ptC atom results in an intermediate state with two similar transition states and leads back to 1 itself. In Si 2 C 5 H 2, all reaction profiles for 1 are found to be endothermic. These findings are in stark contrast to the C 7 H 2's isovalent and basic lowest-energy isomer, as the overall reaction profiles have been found to be exothermic.

Source link: https://doi.org/10.3390/chemistry3010002

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions