Vibronic interactions in the visible and near-infrared spectra of C60− anions

Ian D. Hands; Janette L Dunn; Colin A Bates; Michael J Hope; Steve R Meech; David L Andrews

doi:10.1103/PhysRevB.77.115445

Vibronic interactions in the visible and near-infrared spectra of C60− anions

Ian D. Hands, Janette L Dunn, Colin A Bates, Michael J Hope, Steve R Meech, David L Andrews

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Abstract

Electron-phonon coupling is an important factor in understanding many properties of the C₆₀ fullerides. However, there has been little success in quantifying the strength of the vibronic coupling in C₆₀ ions, with considerable disagreement between experimental and theoretical results. We will show that neglect of quadratic coupling in previous models for C_60^- ions results in a significant overestimate of the linear coupling constants. Including quadratic coupling allows a coherent interpretation to be made of earlier experimental and theoretical results which at first sight are incompatible.

Original language	English
Article number	115445
Number of pages	5
Journal	Physical Review B
Volume	77
Issue number	11
DOIs	https://doi.org/10.1103/PhysRevB.77.115445
Publication status	Published - 25 Mar 2008

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10.1103/PhysRevB.77.115445

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Cite this

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abstract = "Electron-phonon coupling is an important factor in understanding many properties of the C60 fullerides. However, there has been little success in quantifying the strength of the vibronic coupling in C60 ions, with considerable disagreement between experimental and theoretical results. We will show that neglect of quadratic coupling in previous models for C60- ions results in a significant overestimate of the linear coupling constants. Including quadratic coupling allows a coherent interpretation to be made of earlier experimental and theoretical results which at first sight are incompatible.",

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AU - Meech, Steve R

AU - Andrews, David L

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AB - Electron-phonon coupling is an important factor in understanding many properties of the C60 fullerides. However, there has been little success in quantifying the strength of the vibronic coupling in C60 ions, with considerable disagreement between experimental and theoretical results. We will show that neglect of quadratic coupling in previous models for C60- ions results in a significant overestimate of the linear coupling constants. Including quadratic coupling allows a coherent interpretation to be made of earlier experimental and theoretical results which at first sight are incompatible.

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