Related Experiment Video
Updated: May 29, 2026

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
Published on: June 28, 2016
Strong intramolecular electron-phonon coupling in the negatively charged aromatic superconductor picene
Takashi Kato1, Takashi Kambe, Yoshihiro Kubozono
1Institute for Innovative Science and Technology, Graduate School of Engineering, Nagasaki Institute of Applied Science, Shuku-machi, Japan. KATO_Takashi@NiAS.ac.jp
Abstract:
Superconductivity was recently discovered in solid potassium-intercalated picene (K(3)22ph), in which the picene molecule becomes trianionic (22ph(3-)). In this Letter, we conduct a theory-based study of the superconductivity of 22ph(3-) within the framework of BCS theory. We estimate the density of states N(ε(F)) on the Fermi level to be 2.2 states per (eV molecule spin) by using the theoretical intramolecular electron-phonon coupling l(x) and the experimental superconducting transition temperature T(c) of 18 K. The theoretical value is consistent with the 1.2 states per (eV molecule spin) determined experimentally for K(3)22ph with T(c)=18 K, indicating the validity of our theoretical treatment and the electron-phonon mechanism for superconductivity. The predicted l(x), 0.206 eV, for 22ph(3-) is larger than any value reported for organic superconductors, so picene may have the largest l(x) among the superconductors reported so far.
Related Concept Videos
¹H NMR: Long-Range Coupling
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds
Spin–Spin Coupling: One-Bond Coupling
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...

