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Molecular transport junctions: Propensity rules for inelastic electron tunneling spectra
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Troisi, Alessandro and Ratner, Mark A. (2006) Molecular transport junctions: Propensity rules for inelastic electron tunneling spectra. NANO LETTERS, 6 (8). pp. 1784-1788. doi:10.1021/nl0609394 ISSN 1530-6984.
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Official URL: http://dx.doi.org/10.1021/nl0609394
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.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry T Technology T Technology > TA Engineering (General). Civil engineering (General) |
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Journal or Publication Title: | NANO LETTERS | ||||
Publisher: | AMER CHEMICAL SOC | ||||
ISSN: | 1530-6984 | ||||
Official Date: | 9 August 2006 | ||||
Dates: |
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Volume: | 6 | ||||
Number: | 8 | ||||
Number of Pages: | 5 | ||||
Page Range: | pp. 1784-1788 | ||||
DOI: | 10.1021/nl0609394 | ||||
Publication Status: | Published |
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