Inelastic electron tunneling spectroscopy offers us the chance to characterize the vibrational properties of conducting molecules; however this is a spectroscopic technique without a history of widespread use in chemistry. Here we start to explore chemical space, and compare families of molecules to see the trends that emerge from calculations of their spectra. In particular, we focus on chemical modifications that alter the conjugation in a molecule, introducing destructive interference features, and the way these changes manifest in the inelastic transport properties.

Calculating inelastic electron tunneling spectra: Exploring chemical space

244th National Meeting (2012)

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