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- W3048386947 endingPage "1944" @default.
- W3048386947 startingPage "1934" @default.
- W3048386947 abstract "The pairing of TFH3 with a TH2CH3− anion, where T represents tetrel atoms C, Si, Ge, Sn, Pb, results in a strong direct interaction between the two T atoms. The interaction energy is sensitive to the nature of the two T atoms but can be as large as 90 kcal/mol. The noncovalent bond strength rises quickly as the basic T atom of the anion becomes smaller, or as the Lewis acid T grows larger, although there is less sensitivity to the latter atom. The electrostatic component makes up some 55–70 % of the total attraction energy. This term is well accounted for by simple combination of the maximum and minimum values of the molecular electrostatic potential of the Lewis acid and base units, respectively. The complexation induces a rearrangement in the TFH3 molecule from tetrahedral to trigonal pyramidal. The associated deformation energy reduces the exothermicity of the complexation reaction. Electron density shift patterns reveal a density loss on the basic T atom, along with accompanying increases on the acidic T and its attached F atom." @default.
- W3048386947 created "2020-08-18" @default.
- W3048386947 creator A5034041714 @default.
- W3048386947 creator A5072691943 @default.
- W3048386947 creator A5084944355 @default.
- W3048386947 creator A5085422555 @default.
- W3048386947 date "2020-08-12" @default.
- W3048386947 modified "2023-10-01" @default.
- W3048386947 title "Noncovalent Bonds between Tetrel Atoms" @default.
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