S-shaped dinaphtho[2,1-b:2′,1′-f]thieno[3,2-b]thiophene (S-DNTT) molecules have shown promise for applications in organic electronic devices, though their molecular characteristics are not fully understood yet. In this study, we first revealed the material characteristics of S-DNTT-10 by vibrational dynamics using Raman spectroscopy and density functional theory (DFT) simulations, employing the B3LYP functional method and the 6-311G (d, p) basis set. The molecular vibrations identified included C–H bending in alkyl chains and the deformation of S-shaped thiophene rings. In addition, surface-enhanced Raman scattering (SERS) with 785 nm incident light was applied to thermally deposited 25 nm S-DNTT-10 thin films with gold (Au) nanostructures. It showed enhanced Raman signals from the lower S-DNTT-10 layers. The findings significantly contribute to the knowledge of S-DNTT-10 molecular properties and also contribute insights into using this material into organic electronic devices in the future.

The S-shaped dinaphtho[2,1-b:2′,1′-f] thieno[3,2-b]thiophene (S-DNTT) molecules have shown promise for applications in organic electronic devices, though their molecular characteristics are not yet fully understood. In this study, it firstly revealed the material characteristics of S-DNTT-10 by vibrational dynamics using Raman spectroscopy and density functional theory (DFT) simulations with employing B3LYP functional method and the 6-311G (d, p) basis set. The molecular vibrations identified include C-H bending in alkyl chains and deformation of S-shaped thiophene rings. Additionally, it suggested that surface-enhanced Raman scattering (SERS) with 785 nm incident light was applied to thermally deposited 25 nm S-DNTT-10 thin-films with gold (Au) nanostructures. It illustrated the enhancing Raman signals from the lower S-DNTT-10 layers. The findings significantly contribute to the knowledge of S-DNTT-10 molecular properties and using this material into organic electronic devices in the future.