Conformational and Configurational Determination in 1,1,4,4-Tetrafluoro-2-Propylidene-3-Methyl-6-Tert-Butyl-1,4-Disila-5-Cyclohexene

Autor:	Hui‐Jean Chiang, Chao-Shiuan Liu, Chi-Young Lee
Rok vydání:	1992
Předmět:	Coupling constant chemistry.chemical_compound Heteronuclear molecule chemistry Molecular model Stereochemistry Computational chemistry Cyclohexene General Chemistry Fluorine-19 NMR Two-dimensional nuclear magnetic resonance spectroscopy Cycloaddition Spectral line
Zdroj:	Journal of the Chinese Chemical Society. 39:149-153
ISSN:	0009-4536
DOI:	10.1002/jccs.199200024
Popis:	A complete assignment of the 1H, 13C and 19F NMR spectra of 1,1,4,4-tetrafluoro-2-propylidene-3-methyl-6-tert-butyl-1,4-disila-5-cyclohexene 3, the product of the cycloaddition reaction between tetrafluorodisilacyclobutene 1 and cis, trans-2,4-hexadiene mediated by (n5-C5H5)Mn(CO)3, has been made by means of various 2D NMR chemical shift correlation methods and selective heteronuclear decoupling techniques. An analysis of the three bond 13C-1H coupling constants and two bond 13C-19F coupling constants and the molecular modeling results enabled the determination of the conformation and configuration of compound 3. The conformation of 3 provides insight into mechanistic details of the Mn-mediated cycloaddition.
Databáze:	OpenAIRE
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