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Issue 57, 2012
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Dipole driven bonding schemes of quinonoid zwitterions on surfaces

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Abstract

The permanent dipole of quinonoid zwitterions changes significantly when the molecules adsorb on Ag(111) and Cu(111) surfaces. STM reveals that sub-monolayers of adsorbed molecules can exhibit parallel dipole alignment on Ag(111), in strong contrast with the antiparallel ordering prevailing in the crystalline state and retrieved on Cu(111) surfaces, which minimizes the dipoles electrostatic interaction energy. DFT shows that the rearrangement of electron density upon adsorption is a result of donation from the molecular HOMO to the surface, and back donation to the LUMO with a concomitant charge transfer that effectively reduces the overall charge dipole.

Graphical abstract: Dipole driven bonding schemes of quinonoid zwitterions on surfaces

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Supplementary files

Article information


Submitted
05 Apr 2012
Accepted
23 May 2012
First published
23 May 2012

Chem. Commun., 2012,48, 7143-7145
Article type
Communication

Dipole driven bonding schemes of quinonoid zwitterions on surfaces

D. A. Kunkel, S. Simpson, J. Nitz, G. A. Rojas, E. Zurek, L. Routaboul, B. Doudin, P. Braunstein, P. A. Dowben and A. Enders, Chem. Commun., 2012, 48, 7143
DOI: 10.1039/C2CC32462H

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