Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

Authors

D.Q. Feng, University of Nebraska-LincolnFollow
David Wisbey, University of Nebraska-LincolnFollow
Yaroslav B. Losovyj, Louisiana State University at Baton RougeFollow
Y. Tai, Angewandte Physikalische Chemie, Universität Heidelberg, Im Neuenheimer Feld 253, D-69120 Heidelberg, Germany
M. Zharnikov, Angewandte Physikalische Chemie, Universität Heidelberg, Im Neuenheimer Feld 253, D-69120 Heidelberg, Germany
Peter A. Dowben, University of Nebraska-LincolnFollow

Date of this Version

10-27-2006

Comments

Published by American Physical Society. Phys. Rev. B 74, 165425 2006. http://prb.aps.org. Copyright © 2006 American Physical Society. Permission to use.

Abstract

We find evidence of intermolecular interactions for a self-assembled monolayer (SAM) formed from a large molecular adsorbate, [1,1′;4′,1′′-terphenyl]-4,4′′-dimethanethiol, from the dispersion of the molecular orbitals with changing wave vector k. With the formation self-assembled molecular (SAM) layer, the molecular orbitals hybridize to electronic bands, with indications of significant band dispersion of the unoccupied molecular orbitals. The electronic structure is also seen to be dependent upon temperature, and cross linking between the neighbor molecules, indicating that the electronic structure may be subtly altered by changes in molecular conformation and packing.