AI Article Synopsis
- The molecule {Cp*(dppe)Fe(C≡C-)}(2)(1,3-C(6)H(4)) is examined in two states: as a neutral Fe(II)-Fe(II) complex and as a mixed-valence Fe(II)-Fe(III) complex.
- Scanning tunneling microscopy (STM) reveals that the neutral molecule has a "dumbbell" shape, while the mixed-valence complex has a bright-dim pattern due to charge localization.
- This research suggests new ways to manipulate charge on surfaces, which could impact the development of smart materials and molecular electronics.
Article Abstract
{Cp*(dppe)Fe(C≡C-)}(2)(1,3-C(6)H(4)) is studied both as a neutral molecule, Fe(II)-Fe(II), and as a mixed-valence complex, Fe(II)-Fe(III). Scanning tunneling microscopy (STM) is used to image these species at 77 K under ultrahigh-vacuum conditions. The neutral molecule Fe(II)-Fe(II) has a symmetric, "dumbbell" appearance in STM images, while the mixed-valence complex Fe(II)-Fe(III) demonstrates an asymmetric, bright-dim double-dot structure. This asymmetry results from localization of the electron to one of the iron-ligand centers, a result which is confirmed through comparison to theoretical STM images calculated using constrained density-functional theory (CDFT). The observation of charge localization in mixed-valence complexes outside of the solution environment opens up new avenues for the control and patterning of charge on surfaces, with potential applications in smart materials and molecular electronic devices.
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| http://dx.doi.org/10.1021/ja105958p | DOI Listing |
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