Publications by authors named "Hassan K Khartabil"
J Am Chem Soc
February 2010
Article Synopsis
- The study investigates the reactivity of alkyllithium-lithium-aminoalkoxide superbases in deprotonative lithiation of pyridine derivatives, highlighting their superior selectivity compared to alkyllithium.
- Experimental and theoretical analyses revealed that nucleophilic addition or alpha-lithiation occurs based on varying conditions, while ortho-metalation was not observed.
- Key findings include that aggregate type (dimers vs. tetramers) significantly influences selectivity, with dimers leading to nucleophilic addition and tetramers promoting alpha-lithiation, alongside insights on basicity variations affecting reactive behavior.
Article Synopsis
- Mixed alkyllithium/lithium alkoxides aggregates are key in synthetic organic chemistry, but their properties need further study.
- This research analyzes these aggregates' structures using quantum mechanics and molecular dynamics simulations in dimethyl ether.
- Findings highlight unique bond patterns and interactions, such as hydrogen bonding between solvent molecules and aggregates, affecting their structural behavior in solution.
Article Synopsis
- The study investigates the aggregation behavior of nBuLi and lithium aminoalkoxide superbases in gas phase and solutions, specifically nBuLi/LiDMAE and nBuLi/LiPM.
- The researchers used density functional theory (DFT) to calculate and compare the stability of different aggregates in various mediums and found that enthalpic and entropic factors uniquely influence each environment, particularly hexane vs. THF.
- Results align with experimental data, revealing that solutions containing LiPM display distinct characteristics compared to those solely with nBuLi, providing valuable insights for future research on organolithium compounds.
