Electronic structures of poly-cations and -anions of C60. Possible mechanisms of organic ferromagnetism

Yamaguchi, Kizashi; Hayashi, Saori; Okumura, Mitsutaka; Nakano, Masayoshi; Mori, Wasuke

doi:10.1016/0009-2614(94)00738-1

Cited by 40 publications

(22 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Calculations which include configuration interaction typically find the singlet state lower or equal in energy to the triplet state. 60,[300][301][302][303][304] The magnetic susceptibility data for [PPN] 3 [C 60 ] (see Figure 15), 21 a necessarily magnetically dilute system because of the three large cations, and for [Fe-(C 5 H 5 )(C 6 Me 6 )] 3 [C 60 ] 143 are consistent with an isolated S ) 1/2 system, not the S ) 3/2 quartet expected from a Hund's rule (t 1u ) 3 configuration. This is perhaps the most unexpected result that has arisen from the study of the spin states of discrete fulleride ions.…”

Section: Magnetic Susceptibility and Spin Statesmentioning

confidence: 99%

“…Evidently the three electrons in the orthogonal t 1u orbitals are, on average, sufficiently remote from each other that typical Hund's rule exchange interactions are overridden by spin-pairing (and presumably symmetry lowering) effects. Theory can rationalize this phenomenon in terms of vibronic coupling and configuration interaction with the higher energy t 1g orbitals, [300][301][302][303][305][306][307][308][309][310][311][312] sometimes referred to as a pseudo-Jahn-Teller effect. 313 …”

Section: Magnetic Susceptibility and Spin Statesmentioning

confidence: 99%

See 1 more Smart Citation

Discrete Fulleride Anions and Fullerenium Cations

2000

View full text Add to dashboard Cite

His research interests include reactive cation and superacid chemistry with inert carborane counterions, ionic liquids, bioinorganic chemistry, spin-coupling phenomena, fullerene chemistry, and new carbon-or porphyrin-based materials. He is a Sloan Fellow, a Dreyfus Teacher−Scholar Awardee, and a Guggenheim Fellow. Robert Bolskar received his B.S. degree in Chemistry from Carroll College in Waukesha, WI, in 1992. He earned his Ph.D. degree at the University of Southern California in Los Angeles under the direction of Christopher Reed in 1997, investigating the synthetic redox chemistry of fullerene anions and cations. In 1998 he moved to the University of California, Riverside, as Managing Research Associate. He is currently Senior Chemist at TDA Research in Wheat Ridge, CO. His research interests include the chemistry and physics of fullerene compounds, supramolecular chemistry, strongly oxidizing systems, and electrophilic cations.

show abstract

Section: Magnetic Susceptibility and Spin Statesmentioning

confidence: 99%

Section: Magnetic Susceptibility and Spin Statesmentioning

confidence: 99%

Discrete Fulleride Anions and Fullerenium Cations

2000

View full text Add to dashboard Cite

show abstract

“…A proper arrangement of the C 60 anions relative to each other, providing minimal electrostatic repulsion occurs if the poles of the JT distorted C 60 anions are placed in the contact region [18]. Here the spin density and thus also the exchange is very small, and other mechanisms like spin polarization or configuration interaction control the magnetic properties [19]. Such a strong correlation between molecular and magnetic ordering was also extensively discussed in terms of merohedral order by Mihailovic et al [20].…”

Section: Discussionmentioning

confidence: 95%

The universality of the electron spin relaxation in C60 mono radical anion salts: EPR studies of the model system [P(C6H5)4]2C60X

Gotschy

Völkel

1996

Appl. Magn. Reson.

View full text Add to dashboard Cite

The C 60 radical anion salts [P(C 6Hs)4hC60X (X = Cl, Br, I) are grown via electrocrystallization and used as a model system to study the electron spin and nuclear spin dynamics as well as the molecular dynamics of C 60 mono anions in the solid state, which obey universal laws. It is shown that [P(C 6Hs)4hC60X is an exception among the fullerides, since the temperature dependence of the JT distortion, predicted for ionic C 60 , can be deduced.

show abstract

“…From previous calculations [22,24,25] R ≈ 4.8 A can be obtained. The differences between the present and the cited calculations are due to the different choice of the equilibrium bond lengths.…”

Section: The Modelmentioning

confidence: 98%

A lattice-gas model for alkali-metal fullerides: face-centred-cubic structure

Udvardi¹,

Szabó²

1996

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

A lattice-gas model is suggested for describing the ordering phenomena in alkali-metal fullerides of facecentered-cubic structure assuming that the electric charge of alkali ions residing in either octahedral or tetrahedral sites is completely screened by the first-neighbor C60 molecules. This approximation allows us to derive an effective ion-ion interaction. The van der Waals interaction between the ion and C60 molecule is characterized by introducing an additional site energy at the tetrahedral sites. This model is investigated by using a three-sublattice mean-field approximation and a simple cluster-variation method. The analysis shows a large variety of phase diagrams when changing the site energy parameter.

show abstract

Electronic structures of poly-cations and -anions of C60. Possible mechanisms of organic ferromagnetism

Cited by 40 publications

References 37 publications

Discrete Fulleride Anions and Fullerenium Cations

Discrete Fulleride Anions and Fullerenium Cations

The universality of the electron spin relaxation in C60 mono radical anion salts: EPR studies of the model system [P(C6H5)4]2C60X

A lattice-gas model for alkali-metal fullerides: face-centred-cubic structure

Contact Info

Product

Resources

About