More Like this

1. Single-Molecule Mechanochemical Sensing

   https://doi.org/10.1021/acs.accounts.1c00770  

   Hu, Changpeng ; Tahir, Rabia ; Mao, Hanbin ( May 2022 , Accounts of Chemical Research)
2. Proximity and single-molecule energetics

   https://doi.org/10.1126/science.abj5860  

   Li, Linfei ; Jiang, Nan ( July 2021 , Science)

   Probing single molecules in their nanoenvironment can reveal site-specific phenomena that would be obscured by ensemble-averaging experiments on macroscopic populations of molecules. Particularly in the past decade, major technological breakthroughs in scanning probe microscopy (SPM) have led to unprecedented spatial resolution and versatility and enabled the interrogation of molecular conformation, bond order, molecular orbitals, charge states, spins, phonons, and intermolecular interactions. On page 452 of this issue, Peng et al. ( 1 ) use SPM to directly measure the triplet lifetime of an individual pentacene molecule and demonstrate its dependence on interactions with nearby oxygen molecules with atomic precision. In addition to allowing the local tuning and probing of spin-spin interactions between molecules, this study represents a notable advance in the single-molecule regime and provides insights into many macroscopic behaviors and related applications in catalysis, energy-conversion materials, or biological systems. 

   more » « less
3. Pyrazolylborate Cyanometalate Single-Molecule Magnets

   https://doi.org/10.2174/1877944111303020009  

   Ferko, Philip ; Holmes, Stephen ( August 2013 , Current Inorganic Chemistry)
4. Single‐Molecule Conductance of Staffanes

   https://doi.org/10.1002/anie.202415978  

   Pimentel, Ashley_E ; Pham, Lan_D ; Carta, Veronica ; Su, Timothy_A ( November 2024 , Angewandte Chemie International Edition)

   We report the first conductance measurements of [n]staffane (bicyclopentane) oligomers in single‐molecule junctions. Our studies reveal two quantum transport characteristics unique to staffanes that emerge from their strained bicyclic structure. First, though staffanes are composed of weakly conjugated C−Cσ‐bonds, staffanes carry a shallower conductance decay value (β=0.84±0.02 n⁻¹) than alkane chain analogs (β=0.96±0.03 n⁻¹) when measured with the scanning tunneling microscopy break junction (STM‐BJ) technique. Staffanes are thus more conductive than otherσ‐bonded organic backbones reported in the literature on a per atom basis. Density functional theory (DFT) calculations suggest staffane backbones are more effective conduits for charge transport because their significant bicyclic ring strain destabilizes the HOMO‐2 energy, aligning it more closely with the Fermi energy of gold electrodes as oligomer order increases. Second, the monostaffane is significantly lower conducting than expected. DFT calculations suggest that short monostaffanes sterically enforce insulating gauche interelectrode orientations over syn orientations; these steric effects are alleviated in longer staffanes. Moreover, we find that [2‐5]staffane wires may accommodate axial mechanical strain by “rod‐bending”. These findings show for the first time how bicyclic ring strain can enhance charge transmission in saturated molecular wires. These studies showcase the STM‐BJ technique as a valuable tool for uncovering the stereoelectronic proclivities of molecules at material interfaces.

    

   more » « less
5. Statistical Methodology in Single-Molecule Experiments

   https://doi.org/10.1214/19-STS752  

   Du, Chao ; Kou, S. C. ( February 2020 , Statistical Science)