ESR parameters of a series of La@C n isomers

Okubo, Sho; Kato, Tatsuhisa

doi:10.1007/bf03166636

Cited by 15 publications

(13 citation statements)

References 22 publications

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“…Akasaka and co‐workers published the first isolation and characterization of this minor isomer of La@C 82 with a hfcc of 0.836 G, corresponding to C s symmetry . Isomers of La@C 2n (2n = 76 − 90) studied by ESR spectroscopy exhibited similar features to those reported previously, with small hfcc and g values centered around 2.003 . ESR studies of pure samples of Sc@C 82 (C 2v , C s ) and Sc@C 84 were reported by Shinohara in 2000.…”

Section: Endohedral Fullerenessupporting

confidence: 58%

Electron spin resonance spectroscopy of empty and endohedral fullerenes

Romero

Echegoyen

2016

J of Physical Organic Chem

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Fullerene derivatives exhibit many interesting structural, electronic, and chemical properties, largely determined by the carbon cage's ability to accept electrons. Electron spin resonance spectroscopy is a very sensitive and important technique to detect open shell species and to determine HOMO and LUMO density distributions. Here we present a short overview of the most significant and informative reports of electron spin resonance studies of empty and endohedral fullerenes, classified on the basis of the entrapped moiety, cage size symmetry, and on the techniques used to generate the paramagnetic states. N@C 61 (COOEt) 2 (a) in solution and (b) in the form of a powder at ambient temperature (c) simulation.Figure 6. Molecular switch based on a covalently linked N@C 60 -porphyrin dyad controlled by metalation/demetalation. Reproduced with permission from ref 44.Figure 12. Molecular switch of paramagnetic properties of Sc 3 C 2 @C 80 . Reproduced with permission from ref 65.

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Section: Endohedral Fullerenessupporting

confidence: 58%

Electron spin resonance spectroscopy of empty and endohedral fullerenes

Romero

Echegoyen

2016

J of Physical Organic Chem

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“…The EPR spectrum of La@C 72 (Figure a) shows eight clear splitting peaks; the isotropic hyperfine coupling constant of a(La) iso is 0.16 G, and the g-factor is 2.0018. Among reported mono La-based metallofullerenes, this a(La) iso value is the smallest one, and the g value is similar to those of La@C 82 derivatives and La@C 86 –II . The EPR spectrum of Y@C 72 (Figure b) shows two clear splitting peaks; the isotropic hyperfine coupling constant of a(Y) iso is 1.75 G, and the g-factor is 2.0015.…”

Section: Resultssupporting

confidence: 84%

Synthesis and Structural Studies of Two Paramagnetic Metallofullerenes with Isomeric C₇₂ Cage

et al. 2019

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We synthesized and isolated two paramagnetic metallofullerenes of La@C72 and Y@C72 with different fullerene cages, which were characterized by electron paramagnetic resonance (EPR) spectroscopy and theoretical calculations. DFT calculations disclosed two possible isomers of La/Y@C72 with C72-C 2 and C72-C 2v cages, both of which have similar thermodynamic stability and one pair of fused pentagons. Their paramagnetic properties were then studied by EPR spectroscopy, and the obtained EPR signals were analyzed with very different hyperfine coupling constants, revealing distinct electron spin distributions for these two species. Furthermore, the experimental coupling constants were compared with those of calculated coupling constants, and comparison results revealed that the produced La@C72 has a C72-C 2v cage and Y@C72 has a C72-C 2 cage. These studies illustrate that the electron spin can be used as a probe to identify metallofullerene structure due to the susceptibility of spin-metal couplings. The successful isolation and characterizations of La@C72 and Y@C72 with such a small C72 cage reveal their stability that is important for application as paramagnetic molecule materials.

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“…After soxhlet extraction, a highly purified sample of the major isomer of Gd@C 82 Gd@C 82 (I) (C 2v ) was obtained by employing high performance liquid chromatography (HPLC) as described in a previous report (1). After soxhlet extraction, a highly purified sample of the major isomer of Gd@C 82 Gd@C 82 (I) (C 2v ) was obtained by employing high performance liquid chromatography (HPLC) as described in a previous report (1).…”

Section: Methodsmentioning

confidence: 99%