title: A surface-enhanced Raman study of N-methylquinolinium tricyanoquinodimethanide adsorbed on Ag nanospheres: Determination of molecular orientation and order.
abstract: Quinolinium tricyanoquinodimethanides are among the most promising molecules for electronic applications. Disorder can be detrimental to the desired electronic properties of a monolayer, and as such, a reliable method to characterize a monolayer without destroying or creating defects is paramount to determining potential applications. Here, the normal and surface-enhanced Raman scattering spectra of N-methylquinolinium tricyanoquinodimethanide (CH₃Q-3CNQ) on silver coated nanosurfaces have been obtained and analyzed. Theoretical treatment of CH₃Q-3CNQ was performed. Optimization and frequency search was conducted using the B3LYP functional with the 6-31G(d) basis set. A complete list of frequencies and assignments for the molecules are presented. The spectroscopic evidence points to the fact that a monolayer of CH₃Q-3CNQ can be formed through the self-assembly process, and the SERS data indicate that the monolayer attaches to the silver surface through the nitrile groups.
authors.affiliation: Department of Chemistry, Howard University, Washington, DC 20059, United States.
authors.forename: Melissa C
authors.initials: MC
authors.lastname: Fletcher
authors.affiliation: Electronic Technology, Naval Research Laboratory, Washington, DC 20375, United States.
authors.forename: Dimitri M
authors.initials: DM
authors.lastname: Alexson
authors.affiliation: Electronic Technology, Naval Research Laboratory, Washington, DC 20375, United States.
authors.forename: Sharka M
authors.initials: SM
authors.lastname: Prokes
authors.affiliation: Electronic Technology, Naval Research Laboratory, Washington, DC 20375, United States.
authors.forename: Orest J
authors.initials: OJ
authors.lastname: Glembocki
authors.affiliation: Department of Biology, Chemistry, and Environmental Sciences, Inter American University, San German, PR 00683-9801, United States.
authors.forename: Alberto
authors.initials: A
authors.lastname: Vivoni
authors.affiliation: Department of Chemistry, Howard University, Washington, DC 20059, United States. Electronic address: chosten@howard.edu.
authors.forename: Charles M
authors.initials: CM
authors.lastname: Hosten
keywords: DFT; Surface enhanced Raman