Characteristic IR CC Stretch Enhancement in Monolayers by Nonconjugated, Noncumulated Unsaturated Bonds

Control over and understanding of single-molecule covalent coatings becomes increasingly important in tailoring surfaces during the fabrication of nanoscale electrical or optical elements, such as organic field-effect transistors and light-emitting devices as well as microelectromechanical systems as the relevant feature sizes decrease. In this work, we develop a model based on IR spectra from public databases and DFT calculations that can be used to semiquantitatively assess the level of double bonds in monolayer coatings. We use the model to show the enhancement of the CC vibrational mode due to silicon substitution and also from additional unsaturated bonds. Simple models for other functional groups in organic monolayers could be produced similarly.