Issue 17, 2022

Terahertz spectroscopy of the helium endofullerene He@C60

Abstract

We studied the quantized translational motion of single He atoms encapsulated in molecular cages by terahertz absorption. The temperature dependence of the THz absorption spectra of 3He@C60 and 4He@C60 crystal powder samples was measured between 5 and 220 K. At 5 K there is an absorption line at 96.8 cm−1 (2.90 THz) in 3He@C60 and at 81.4 cm (2.44 THz) in 4He@C60, while additional absorption lines appear at higher temperature. An anharmonic spherical oscillator model with a displacement-induced dipole moment was used to model the absorption spectra. Potential energy terms with powers of two, four and six and induced dipole moment terms with powers one and three in the helium atom displacement from the fullerene cage center were sufficient to describe the experimental results. Excellent agreement is found between potential energy functions derived from measurements on the 3He and 4He isotopes. One absorption line corresponds to a three-quantum transition in 4He@C60, allowed by the anharmonicity of the potential function and by the non-linearity of the dipole moment in He atom displacement. The potential energy function of icosahedral symmetry does not explain the fine structure observed in the low temperature spectra.

Graphical abstract: Terahertz spectroscopy of the helium endofullerene He@C60

Associated articles

Article information

Article type
Paper
Submitted
31 Jan 2022
Accepted
03 Apr 2022
First published
21 Apr 2022
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2022,24, 9943-9952

Terahertz spectroscopy of the helium endofullerene He@C60

T. Jafari, G. Razvan Bacanu, A. Shugai, U. Nagel, M. Walkey, G. Hoffman, M. H. Levitt, R. J. Whitby and T. Rõõm, Phys. Chem. Chem. Phys., 2022, 24, 9943 DOI: 10.1039/D2CP00515H

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