Exceptional properties of [n]CPPswhy molecular morphology and size matter?

Resumen

Cycloparaphenylenes ([n]CPPs from now on), were firstly synthesized in 2008, and promptly joined the fascinating world of carbon nano-materials in their own right. These systems are formed by cyclic molecules with n phenyl units connected each other in their para-position, a configuration that resembles an ultra-short armchair single-wall carbon nanotube (SWCNT). In this Ph. D. Thesis we put forward a systematic study on the electronic properties of [n]CPPs, providing a thoroughly link between [n]CPPs, SWCNTs and their linear analogues ([n]LPPs). Curvature, strain and electronic ??conjugation are the main characteristics of [n]CPPs that we will systematically study to examine their unexplored properties, and eventually their potential applications. In addition, we shall use [n]CPPs as models to realize the concept of radial cyclic electronic ??conjugation, which has been only theoretically considered so far. Let us emphasize that we shall take advantage of the success of Raman spectroscopy for characterizing carbon-based materials. Raman spectroscopy is also among the most suitable tools to probe the electronic properties of such materials due to the high susceptibility of the ?-electrons polarizability. In this Ph. D. Thesis we present a systematic study of a series of [n]CPPs considering all the geometrical parameters involved in their vibrational modes. We shall examine the influence of size on the Raman spectra of [n]CPPs, together with the effect of oxidation and mechanical compression on their molecular structures. Finally, we will explore the hosting capabilities of [n]CPPs as well as their mechanical properties relative to those of SWCNTs...