On polarization effects in endohedral fullerene complexes
✍ Scribed by J. Hernández-Rojas; J. Bretón; J.M. Gomez Llorente
- Book ID
- 103031267
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 214 KB
- Volume
- 235
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Recently proposed semiempirical analytical forms for the guest-host interaction potential of endohedral fullerene complexes are in mutual contradiction, as far as the significance of the polarization energy contribution is concerned. This issue is elucidated through a reliable estimate of the polarization energy.
📜 SIMILAR VOLUMES
We propose a two-parameter model Hamiltonian to analyze the lowenergy dynamics of endohedral C fullerene complexes such as Li q @C , Na q @C ,
Three conditions must be met if an endohedral metal–fullerene complex is to be stable : 1. Metal valence orbitals and fullerene frontier orbitals must have complementary symmetry. 2. The metal atomic orbitals must fit inside the fullerene cavity. 3. The resulting complex must have a closed‐shell con
Rotaxanes are not considered to be topological isomers of their separated fragments. However, due to their similarity to catenenes, they are often discussed within the realm of topological chemistry. Similarly, "in" fullerene isomers (endohedial compleT.es, nested fullerems, and the iamners of hy&og
We calculate the far-infrared absorption spectrum associated with the vibrational and rotational motion of a He atom enclosed in a nanotube of diameter 0.7 nm, formed by rolling up a single sheet of graphite and capping each end with one half of a CsO molecule. The endohedral potential and dipole mo