A Vibrational Spectroscopic Study of Endohedral Li@C<sub>60</sub> Fullerenes*

Jantoljak, H.; Krawez, N.; Loa, I.; Tellgmann, R.; Campbell, Eleanor E. B.; Litvinchuk, A. P.; Thomsen, C.

doi:10.1524/zpch.1997.200.part_1_2.157

Cited by 21 publications

(9 citation statements)

References 12 publications

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“…These results are similar to other doped systems results [4,6]. Jantoljak et al [34] carried out a vibrational study on Lithium-implanted fullerene films (Li C 60 ), which include 25% endohedral Li at C 60 as well as interstitial, exohedral Li and C 60 matrix. In general, the bands observed for Li C 60 are broadened and some are shifted to lower frequencies relative to those of C 60 that are in accordance with our calculation in Figures 1 and 2.…”

Section: Table IIsupporting

confidence: 79%

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)

Yaghobi¹,

Koohi²

2010

Int J of Quantum Chemistry

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The Hartree-Fock (HF) approximation and the Single-excitation configuration interaction (single-CI) method are used, with sum-over-state (SOS) approach, in order to determine the static (x ¼ 0) and frequency dependent linear and non linear optical (NLO) properties of the M @ C 60 endohedrals (M ¼ Cs, Li, and Na). We discuss the effects of displacement, movement direction, and type of atom on the (hyper) polarizability of the M at C 60 endohedrals. A HF-single-CI model yields the (hyper) polarizability magnitudes and spectra, which are in agreement with experiment. Our results indicate that the movement of the atom (M) effect on the NLO spectra of M @ C 60 endohedrals is dramatic. These results may provide new means to design some new types of NLO materials.

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Section: Table IIsupporting

confidence: 79%

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)

Yaghobi¹,

Koohi²

2010

Int J of Quantum Chemistry

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“…139 Likewise, N@ C 70 , N 2 @C 70 , and P@C 60 were also synthesized using this ion implantation method. 137,140,141 Ion bombardment was also used to implant alkali metal ions (especially Li + ) into C 60 by Campbell et al 67,68,142,143 The synthesis however suffered from the difficulties with the characterization of the final products, whose identity could not be properly proved. Recently Li@C 60 produced by ion bombardment was isolated by Sawa, Tobita and co-workers in a form of its cationic salt, [Li + @C 60 ](SbCl 6 ).…”

Section: Ion Bombardmentmentioning

confidence: 99%

Endohedral Fullerenes

2013

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a Abbreviations of the methods used for the structures elucidation of EMFs: X-ray: single crystal X-ray diffraction of the nonderivatized EMF; X-ray (Drv) − the same, but for the derivative of EMF; X-ray (Powder) − synchrotron X-ray diffraction studies of powder samples with subsequent Rietveld/MEM analysis; NMR − 13 C NMR; Vib − vibrational spectroscopy (IR and/or Raman); QC − quantum-chemical calculations; UV−vis − UV−vis-(NIR) absorption spectroscopy; HRTEM/EELS − high resolution transmission electron microscopy coupled with electron energy loss spectroscopy; Echem − electrochemistry.

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“…34 Li@C 60 has been extracted from the films with CS 2 and purified by HPLC, 35 and infrared and Raman spectroscopy has been used to characterize the Li@C 60 -containing films. 36 The ion implantation approach has also been used by Shimshi et al 37 for preparation of rare gas endohedrals, but in this case the incorporation level is much lower. An interesting result from Campbell et al 34 is that the collision energy dependence of the incorporation yields for M ϩ ϩC 60 ͑s͒ is identical to the energy dependence we measured 23,24 for gas-phase M ϩ ϩC 60 collisions.…”

Section: Introductionmentioning

confidence: 99%

Collisions of rare gas ions with C60: Endohedral formation, energy transfer, and scattering dynamics

Basir

Anderson

1997

The Journal of Chemical Physics

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Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: Charge transfer reaction of N2 +(X 2Σg +; v+ = 0-2; N + = 0-9) + Ar A selected-ion-flow-drift-tube study of charge transfer processes between atomic, molecular, and dimer ion projectiles and polyatomic molecules ethane, propane, and n-butane Scattering of rare gas cations from C 60 has been studied in a guided-beam tandem mass spectrometer. Charge transfer ͑CT͒ is observed to be the dominant channel over the collision energy range from 0 to 100 eV, but dissociative CT and endohedral complex formation are significant at high collision energies. The threshold energies for endohedral penetration are found to be proportional to rare gas atom size. Our CT and dissociative CT data allow us to make several conclusions about the nature of energy transfer in rare gas-fullerene collisions. Surprisingly, the conclusion is that the energy transfer distribution must be sharply bimodal, with ϳ85% of collisions resulting in little collision-to-internal energy transfer, and ϳ15% of collisions being essentially 100% inelastic. The results indicate that the dissociative CT and endocomplex formation channels are closely related.

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A Vibrational Spectroscopic Study of Endohedral Li@C₆₀ Fullerenes*

Cited by 21 publications

References 12 publications

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)

Endohedral Fullerenes

Collisions of rare gas ions with C60: Endohedral formation, energy transfer, and scattering dynamics

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A Vibrational Spectroscopic Study of Endohedral Li@C60 Fullerenes*

Cited by 21 publications

References 12 publications

Nonlinear optical properties of the M @ C60 endohedrals (M = Cs, Li, and Na)

Nonlinear optical properties of the M @ C60 endohedrals (M = Cs, Li, and Na)

Endohedral Fullerenes

Collisions of rare gas ions with C60: Endohedral formation, energy transfer, and scattering dynamics

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A Vibrational Spectroscopic Study of Endohedral Li@C₆₀ Fullerenes*

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)

Nonlinear optical properties of the M @ C₆₀ endohedrals (M = Cs, Li, and Na)