Making use of an algebraic model for the study of diatomic endofullerenes recently published [Physical Review A 94, 032508 (2016)], we present a possible extension of this framework for the calculation of infrared intensities. We apply the model to the absorption infrared spectrum of H2@C60 at T = 6 K obtaining satisfactory preliminary results.
A tale of two allotropes
Fortunato L.
2019
Abstract
Making use of an algebraic model for the study of diatomic endofullerenes recently published [Physical Review A 94, 032508 (2016)], we present a possible extension of this framework for the calculation of infrared intensities. We apply the model to the absorption infrared spectrum of H2@C60 at T = 6 K obtaining satisfactory preliminary results.
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