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)