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Infrared rotation and vibration—rotation bands of endohedral fullerene complexes. Helium in C60-derived nanotubes

✍ Scribed by C.G. Joslin; C.G. Gray; S. Goldman

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
593 KB
Volume
227
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 moment are calculated using a semi-empirical atom-atom model. The spectrum is that of a perturbed two-dimensional harmonic oscillator. A strong fundamental band lies between 100-200 cm-', and there is a much weaker third harmonic at higher frequencies.

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