A reassignment of the EPR spectra previously attributed to Cu@C60

Elliott, Bevan; Yang, Keqin; Rao, Apparao M.; Arman, Hadi D.; Pennington, William T.; Echegoyen, Luís

doi:10.1039/b700320j

Cited by 7 publications

(4 citation statements)

References 13 publications

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“…The structure is based on a monomer in which copper atom is coordinated to four sulfur atoms, two from each bidentate dithiocarbamato ligand. The geometry about copper is square plannar and is comparable to the structure previously reported . The selected bond lengths and angles are given in the caption of Figure .…”

Section: Resultssupporting

confidence: 56%

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

et al. 2018

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Bis(piperidinedithiocarbamato)copper(II) was used as a precursor for the synthesis of copper sulfide nanoparticles in solutions of different compositions derived from: dodecanethiol (DT), oleylamine (OLA) and trioctylphosphine (TOP) which can be viewed as components acting as, solvents, surfactants or ligands. The powder-X-Ray diffraction of the nanoparticles showed predominately roxbyite, and/or djurleite phase based on the solvent mixture used, and covellite or dignite in OLA depending on the temperature. The morphology changed from spherical to hexagonal discs with variation of the solvent from DT to DT/TOP (2:1) mixture. Thin films of copper sulfide were also deposited by the Aerosol Assisted Chemical Vapour Deposition (AACVD). Djurleite was the only phase deposited by AACVD (350, 400 and 450 8C). Cubes, short rods and spherical microstructures were observed in the SEM images, with average size increasing with temperature.

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Section: Resultssupporting

confidence: 56%

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

et al. 2018

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“…The paradigm for the intermolecular orbital hybridization and potentially transport exploiting the diffuse nature of the SAMOs is completely different and potentially much more efficient than that derived from the intermolecular hybridization of the more tightly bound and strongly directional σ and π orbitals of aromatic molecules. Therefore, we believe that if materials such as Cu@C 60 that form partially occupied SAMO-derived bands could be synthesized − they would find strong interest in molecular electronics, solar energy, correlated materials, etc. communities.…”

Section: Discussionmentioning

confidence: 99%

The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites

et al. 2009

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Motivated by the discovery of the superatom states of C60 molecules, we investigate the factors that influence their energy and wave function hybridization into nearly free electron bands in molecular solids. As the n = 3 solutions of the radial Schrodinger equation of the central attractive potential consisting of the short-range C atom core and the long-range collective screening potentials, respectively, located on the icosahedral C60 molecule shell and within its hollow core, superatom states are distinguished by their atom-like orbitals corresponding to different orbital angular momentum states (l = 0, 1, 2,...). Because they are less tightly bound than the pi orbitals, that is, the n = 2 states, which are often exploited in the intermolecular electron transport in aromatic organic molecule semiconductors, superatom orbitals hybridize more extensively among aggregated molecules to form bands with nearly free electron dispersion. The prospect of exploiting the strong intermolecular coupling to achieve metal-like conduction in applications such as molecular electronics may be attained by lowering the energy of superatom states from 3.5 eV for single chemisorbed C60 molecules to below the Fermi level; therefore, we study how the superatom state energies depend on factors such as their aggregation into 1D-3D solids, cage size, and exo- and endohedral doping by metal atoms. We find, indeed, that if the ionization potential of endohedral atom, such as copper, is sufficiently large, superatom states can form the conduction band in the middle of the gap between the HOMO and LUMO of the parent C60 molecule. Through a plane-wave density functional theory study, we provide insights for a new paradigm for intermolecular electronic interaction beyond the conventional one among the sp(n) hybridized orbitals of the organic molecular solids that could lead to design of novel molecular materials and quantum structures with extraordinary optical and electronic properties.

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“…1 The buckyball structure displays various special properties, such as observable waveparticle duality, 2 superconductivity, [3][4][5][6] non-linear optical properties 7 and high electronic affinity. 8,9 Moreover, with appropriate surface modication, its derivatives showed extensive applications, e.g., hydration, [10][11][12] hydrogenation, 13,14 halogenation, 14 oxygenation, 15,16 cycloaddition, [17][18][19] free radical reaction, 20 photoreaction, 21,22 endohedral metallofullerene, 23,24 catalyst, 25 biomedical sensor/therapy 26,27 and electron acceptor. 28,29 The arrangements of charge transporting materials (e.g., buckyballs) were drawn much attention recently due to the improving of charge transfer in molecular electronics.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and study of hybrid hydrogen-bonded bent-core liquid crystal complexes containing C₆₀- and Si-based proton donors

et al. 2015

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A reassignment of the EPR spectra previously attributed to Cu@C60

Abstract: EPR spectra attributed to the endohedral metallofullerene Cu@C60 are better explained by the previously characterized Cu(II) dithiocarbamate family of compounds.

Cited by 7 publications

References 13 publications

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites

Synthesis and study of hybrid hydrogen-bonded bent-core liquid crystal complexes containing C₆₀- and Si-based proton donors

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A reassignment of the EPR spectra previously attributed to Cu@C60

Abstract: EPR spectra attributed to the endohedral metallofullerene Cu@C60 are better explained by the previously characterized Cu(II) dithiocarbamate family of compounds.

Cited by 7 publications

References 13 publications

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

New Examples of Phase Control in the Preparation of Copper Sulfide Nanoparticles and Deposition of Thin Films by AACVD from Bis(piperidinedithiocarbamato)copper(II) Complex

The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites

Synthesis and study of hybrid hydrogen-bonded bent-core liquid crystal complexes containing C60- and Si-based proton donors

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Synthesis and study of hybrid hydrogen-bonded bent-core liquid crystal complexes containing C₆₀- and Si-based proton donors