Single Molecule Kinetics of Carbon-Carbon Bond Formation

Contact: Jake

Alumnus: Masha

  • Force-extension curves of PMMA tethers obtained using the optical trap. The data show in situ click chemistry linkages formed between (a) polymer-bead and (b) polymer-polymer. In each panel, five cycles are shown (extend, relax, extend...) that demonstrate force increase as the polymers are extended due to their entropic elasticity, and rupture in a single step (indicated by blue arrow). The dashed line indicates a worm-like chain fit. Solvents were THF and toluene, respectively. Traces are horizontally offset for clarity. Deviation from the fit at >35 pN arises from non-linearity of the trapping potential.
  • Power spectra of optically trapped beads in a variety of solvents demonstrate stable optical trapping and the type of data used for calibration. The spectra are fit to calibrate the trap stiffness and sensitivity.
  • DFT calculations of the reaction network for a model Suzuki-Miyaura coupling. A) Calculated structures for intermediates B) Ligand and substrates C) Respective infrared absorption spectra of the structures shown in A. D) Model ensemble-average infrared absorption spectrum calculated from the sum of single molecule spectra. Computations at Yale High Performance Computing Center using ORCA DFT package1 (UKS, BP86, def2-TZVP/J, ZORA6)
  • Jake working at the hood