Institute of Molecular Physics, Polish Academy of Sciences, 60-179 Poznań, Poland; AGH University of Science and Technology, Faculty of Non-Ferrous Metals, 30-059 Kraków, Poland.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:204-9. doi: 10.1016/j.saa.2013.08.102. Epub 2013 Aug 31.
Vibrational properties of two fullerene derivatives: C60TZ-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.
C60TZ-OT-5(1)和 C60TH-3HX(2)的振动特性。此外,还对这些功能化富勒烯的平衡几何形状和正则振动模式进行了量子化学计算。研究表明,尽管所研究的分子之间存在明显的结构差异,但它们的实验光谱非常相似,与计算结果吻合良好。评估了分子在 Langmuir-Blodgett 薄膜中的取向。