A5041225332- Synthesis and Properties of Aromatic Compounds
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Advanced Chemical Physics Studies
- Crystallography and molecular interactions
- Asymmetric Synthesis and Catalysis
- Advanced NMR Techniques and Applications
- Oxidative Organic Chemistry Reactions
- Catalytic C–H Functionalization Methods
- Organoboron and organosilicon chemistry
Justus-Liebig-Universität Gießen
2015-2023
We present a comprehensive experimental study of di-t-butyl-substituted cyclooctatetraene-based molecular balance to measure the effect 16 different solvents on equilibrium folded versus unfolded isomers. In 1,6-isomer, two t-butyl groups are in close proximity (H···H distance ≈ 2.5 Å), but they far apart 1,4-isomer 7 Å). determined relative strengths these noncovalent intramolecular σ–σ interactions via temperature-dependent nuclear magnetic resonance measurements. The origins were...
We present an experimental study of a cyclooctatetraene-based molecular balance disubstituted with increasingly bulky tert-butyl (tBu), adamantyl (Ad), and diamantyl (Dia) substituents in the 1,4-/1,6-positions for which we determined valence-bond shift equilibrium n-hexane (hex), n-octane (oct), n-dodecane (dod). Computations including implicit explicit solvation support our temperature-dependent NMR measurements indicating that more sterically crowded 1,6-isomer is always favored,...
We present an experimental and computational study of a cyclooctatetraene (COT)-based molecular balance disubstituted with commonly used silyl groups. Such groups often serve as protecting are typically considered innocent bystanders. Our motivation here is to determine the actual steric effects such by employing balance. While in unfolded 1,4-valence isomer far apart (dσ–σ ≥ 5.15 Å), folded 1,6-isomer affected greatly noncovalent interactions due close σ–σ contacts ≤ 2.58 Å). In order...
We present an organocatalytic C–O-bond cross-coupling strategy to kinetically resolve racemic diols with aromatic and aliphatic alcohols, yielding enantioenriched esters. This one-pot protocol utilizes oligopeptide multicatalyst, m-CPBA as the oxidant, N,N′-diisopropylcarbodiimide activating agent. Racemic acyclic well trans-cycloalkane-1,2-diols were resolved, achieving high selectivities good yields for products recovered diols.
We present a computational analysis of hexaphenylethane derivatives with heavier tetrels comprising the central bond. In stark contrast to parent hexaphenylethane, tetrel can readily be prepared. order determine origin their apparent thermodynamic stability against dissociation as compared carbon case, we employed local energy decomposition (LED) and symmetry-adapted perturbation theory (SAPT) at DLPNO-CCSD(T)/def2-TZVP sSAPT0/def2-TZVP levels theory. identified London dispersion (LD)...