Abstract
Structural investigations (NMR) show that both 1-dimethylaminoallyllithium ( 4) and potassium ( 2) exist exclusively in the endo conformation in THF. Ab initio calculations also conclude that the endo-structure is thermodynamically more stable than the exo-conformation. Cryoscopic measurements indicate that the potassium compound 2 is a monomer under the experimental conditions studied here. The lithium compound 4 exhibits a monomer-dimer equilibrium that lies almost completely on the side of the dimer at higher concentrations. Ab initio calculations again support these findings. The effect of specific solvation upon the most stable conformation ( η 4- endo-in) of both the lithium and the potassium species is investigated at the HF level of theory.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
