Systematic investigation of the molecular behavior of C₅₀X₂(X = H,F): An echo of the H/F parallels on structures and energetics among their derivatives

Nanostructured Surfaces and Assemblies as SERS Media

“…In a typical SERS experiment, the enhancement is the sum of enhancement sprouting from nanoparticles in various topologies (single particles, dimers, and multiparticle aggregates). It is important to note that the enhancement obtained from nanoparticle aggregates with narrow interparticle gaps completely dominates over that of any isolated nanoparticles 50–52…”

Structure and Electronic Properties of Fullerenes C52q+: Is C522+ an Exception to the Pentagon Adjacency Penalty Rule?

“…It is interesting to note that the LUMO has high contributions from the atomic orbitals located at these positions. Among all the possible ways to locate two substituents in these C atoms, we also followed the conclusion of Xu et al, [56] and we separated both CÀX groups by four CÀC bonds. The resulting positions for the substitutions are marked in Figure 1.…”

“…A first approach would be to inspect the LUMOs, but we found that these orbitals are quite delocalised in the fullerene cage. Instead, we followed the work of Xu et al, [56] who systematically studied the preferred position for F and Cl substitution in the C 50 X 2 system; they concluded that these positions correspond to carbon atoms that are at the confluence of one double (pentagon-pentagon) and two single (pentagon-hexagon) bonds. It is interesting to note that the LUMO has high contributions from the atomic orbitals located at these positions.…”

“…[7] This second rule is know as the pentagon adjacency penalty rule, PAPR. [8] Fullerenes with fused pentagonal rings, such as C 50 Cl 10 and the chlorine derivatives of C 56 and C 54 , have been isolated very recently. [9,10] As indicated above, all these fullerenes necessarily present adjacent pentagons in their structure.…”

Overcoming the Trilemma Issues of Ultrahigh Density Perpendicular Magnetic Recording Media by L10-Fe(Co)Pt Materials

“…Xu et al also found that the grain size and intergrain interaction of the FePt/C multilayer¯lms decreases with increasing C content. 49 The coercivity not only depends on the C content, but also on the structure of the FePt/C mutilayer. Moreover, L1 0 -FePt particles with high Fig.…”