{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["28(69)"],"submitter":["Eisner T"],"pubmed_abstract":["An easily isolable silacycloheptatriene (silepin) 1 b was synthesized from the reaction of a N-heterocyclic imino (IPrN) substituted tribromosilane IPrNSiBr<sub>3</sub> with the sterically congested bis(trimethylsilyl)triisopropylsilyl silanide KSi(TMS)<sub>2</sub> Si(<sup>i</sup> Pr)<sub>3</sub> (BTTPS). In solution, the Si(IV) silepin 1 b is in a thermodynamic equilibrium with the acyclic Si(II) silylene 1 a. The relative concentration of the Si(II) or Si(IV) isomers can be controlled by temperature variation and observed by variable temperature NMR and UV/Vis spectroscopy. DFT calculations show a small reaction barrier for the Si(II)⇌Si(IV) interconversion and a small energy gap between the Si(II) and Si(IV) species. The reactivity of 1 a/b is demonstrated on a variety of small molecules."],"journal":["Chemistry (Weinheim an der Bergstrasse, Germany)"],"pagination":["e202202330"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10092829"],"repository":["biostudies-literature"],"pubmed_title":["Room-Temperature-Observable Interconversion Between Si(IV) and Si(II) via Reversible Intramolecular Insertion Into an Aromatic C-C Bond."],"pmcid":["PMC10092829"],"pubmed_authors":["Inoue S","Hanusch F","Kostenko A","Eisner T"],"additional_accession":[]},"is_claimable":false,"name":"Room-Temperature-Observable Interconversion Between Si(IV) and Si(II) via Reversible Intramolecular Insertion Into an Aromatic C-C Bond.","description":"An easily isolable silacycloheptatriene (silepin) 1 b was synthesized from the reaction of a N-heterocyclic imino (IPrN) substituted tribromosilane IPrNSiBr<sub>3</sub> with the sterically congested bis(trimethylsilyl)triisopropylsilyl silanide KSi(TMS)<sub>2</sub> Si(<sup>i</sup> Pr)<sub>3</sub> (BTTPS). In solution, the Si(IV) silepin 1 b is in a thermodynamic equilibrium with the acyclic Si(II) silylene 1 a. The relative concentration of the Si(II) or Si(IV) isomers can be controlled by temperature variation and observed by variable temperature NMR and UV/Vis spectroscopy. DFT calculations show a small reaction barrier for the Si(II)⇌Si(IV) interconversion and a small energy gap between the Si(II) and Si(IV) species. The reactivity of 1 a/b is demonstrated on a variety of small molecules.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Dec","modification":"2025-04-18T21:19:57.643Z","creation":"2025-04-07T09:12:00.418Z"},"accession":"S-EPMC10092829","cross_references":{"pubmed":["36098491"],"doi":["10.1002/chem.202202330"]}}