Spectroscopic properties and orientation of molecules in Langmuir-Blodgett layers of selected functionalized fullerenes

Vibrational properties of two fullerene derivatives: C(60)TZ-OT-5 (1) and C60TH-3HX (2) have been studied using infrared absorption and Raman scattering spectroscopies. Additionally, quantum chemical calculations of the equilibrium geometry and normal mode vibrations of these functionalized fullerenes were performed. It was stated that despite of distinct structural differences between the investigated molecules, their experimental spectra are quite similar and correspond well with the calculated ones. The orientation of the molecules in the Langmuir-Blodgett films was evaluated. (C) 2013 Published by Elsevier B.V.