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• W3044806685 abstract "1-t-Butyl-1-phenyl-1-silacyclohexane 1, the first disubstituted silacyclohexane with the most bulky substituent, t-Bu group, at silicon, was synthesized via the sequence of reactions PhSiCl3 → Ph(Cl)Si(CH2)5 → Ph(t-Bu)Si(CH2)5, and its molecular structure and conformational preferences were studied by gas-phase electron diffraction (GED), temperature variable IR spectroscopy and quantum chemical calculations of the isolated conformers and their solvate complexes in gas and in polar medium. The predominance of the t-Bueq conformer in gas phase (1-Phax:1-Pheq = 92:8, ΔG° = 1.63 kcal/mol) determined from GED is consistent with the results of quantum chemical calculations at the DFT and MP2 level of theory." @default.
• W3044806685 created "2020-07-29" @default.
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• W3044806685 date "2020-09-01" @default.
• W3044806685 modified "2023-10-18" @default.
• W3044806685 title "1-t-Butyl-1-phenyl-1-silacyclohexane: Synthesis, conformational analysis in gas and solution by GED, FT-IR and theoretical calculations" @default.
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• W3044806685 doi "https://doi.org/10.1016/j.jorganchem.2020.121433" @default.
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