Droplets embody both complexity and simplicity, as such they can be ignored as information poor. Droplets, however, capture surface force balance hence are fascinating tool in understanding sub-nanometer surface perturbations. This talk will highlight how a simple relation of Gibbs free energy between a droplet and a surface can be used to understand conformational evolution in a molecular ensemble. Effect of molecular length in the so-called odd-even effect, in phase evolution, limiting gauche rotations, and related effects will be discussed. Extension of this simple analysis to molecular electronics enables one to decouple stereo-electronic properties of a molecule by coupling conformational effects to tensor algebra. With felicitous choice of molecular moieties, one can reveal the role of simple structural perturbations to charge transport by tunneling, an important advance in realization of functional molecular devices. These results are collaborated by surface sensitive sum-frequency generation, where we not only confirm the odd-even effect but also show no gauche defects in more upright assemblies.

Lessons from a droplet: From conformational analysis to molecular electronics

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ACS Fall 2022

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