Molecular transport junctions

Propensity rules for inelastic electron tunneling spectra

Alessandro Troisi, Mark A Ratner

Research output: Contribution to journalArticle

94 Citations (Scopus)

Abstract

We develop a series of propensity rules for interpreting inelastic electron tunneling (IET) spectra of single-molecule transport junctions. IETS has no selection rules, such as those seen in optical, infrared, and Raman spectra, because IETS features arise not from the field-dipole interaction characterizing these other spectroscopies but from vibronic modification of the electronic levels. Expansion of the Landauer-Imry formula in Taylor series in molecular normal coordinates gives a convenient, accurate perturbation-type formula for calculating both frequency and intensity of the IETS spectrum. Expansion in a Dyson-like form permits derivation of propensity rules, both symmetry-based and pathway-deduced, allowing correlation of structure and coupling geometry with the IETS spectrum. These propensity rules work very well for the calculated spectrum of five typical molecular bridges.

Original languageEnglish
Pages (from-to)1784-1788
Number of pages5
JournalNano Letters
Volume6
Issue number8
DOIs
Publication statusPublished - Aug 2006

Fingerprint

Electron tunneling
electron tunneling
Taylor series
Raman scattering
Spectroscopy
Infrared radiation
Molecules
expansion
electronic levels
Geometry
optical spectrum
infrared spectra
derivation
Raman spectra
dipoles
perturbation
symmetry
geometry
spectroscopy
molecules

ASJC Scopus subject areas

  • Materials Science(all)
  • Electronic, Optical and Magnetic Materials
  • Chemistry (miscellaneous)

Cite this

Molecular transport junctions : Propensity rules for inelastic electron tunneling spectra. / Troisi, Alessandro; Ratner, Mark A.

In: Nano Letters, Vol. 6, No. 8, 08.2006, p. 1784-1788.

Research output: Contribution to journalArticle

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