Methane-intercalated<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Preparation, orientational ordering, and structure

Morosin, B.; Assink, Roger A.; Dunn, R. G.; Massis, T.M.; Schirber, J. E.; Kwei, G. H.

doi:10.1103/physrevb.56.13611

Cited by 40 publications

(28 citation statements)

References 12 publications

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“…Normally, when inert gas atoms and simple molecules occupy the octahedral and even sometimes the tetrahedral sites of the fcc lattice, the noncentral molecular interactions grow weaker, with the effect that the rotational motion of the C 60 molecules gain more freedom. As a result, the temperature of the orientational phase transition decreases [1][2][3][4]. This is illustrated clearly by the experimental results in Table 1.…”

Section: Introductionsupporting

confidence: 70%

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Galtsov

Prokhvatilov

Dolgova

et al. 2007

Low Temperature Physics

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The lattice parameter a of fullerite C 60 intercalated with N 2 molecules is investigated in the temperature interval 6-295 K by x-ray diffraction. It is found that the interstitial molecular N 2 has a considerable effect on both the temperatures, T c of the orientational phase transition and T g of the orientational glass formation. Hysteresis of a(T) has been detected in the T c and T g regions, besides, the abrupt change in the volume over the region defining T c . Complete intercalation of C 60 with N 2 molecules results in a 0.2% increase in the lattice parameter, which persists over the whole temperature range. Evidence is also obtained that the interstitial guest molecular N 2 induces a slight deformation of the cubic symmetry of the host C 60 lattice. PACS

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Section: Introductionsupporting

confidence: 70%

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Galtsov

Prokhvatilov

Dolgova

et al. 2007

Low Temperature Physics

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“…Finally, we note that there are experiments with CH 4 trapped in solid C 60 , but in those samples the methane is in the interstitial spaces between the icosahedra, not inside the icosahedra [11][12][13]. Comparative results are also presented for the isoelectronic species NH 4 ϩ @C 60 .…”

Section: Introductionmentioning

confidence: 99%

Pocket and antipocket conformations for the CH₄@C₈₄ endohedral fullerene

Rehaman

Gagliardi

Pyykkö

2006

Int J of Quantum Chemistry

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ABSTRACT:The endohedral fullerene CH 4 @C 84 has been studied using density functional theory (DFT) and second-order Møller-Plesset perturbation theory (MP2). In addition to the structure with a COH bond of CH 4 in a tetrahedral pocket conformation, we find an alternative minimum, very close in energy (6.3-9.5 kJ/mol higher according to the level of theory), with the methane inverted, which we call the antipocket conformation. Computed IR spectra are reported for CH 4 @C 84 and also for the reference system CH 4 @C 60 . The calculated vibrational levels, in a harmonic approximation, reveal close-lying translational, librational, and shell-vibrational modes. The results are also presented for the isoelectronic species NH 4 ϩ @C 60 .

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“…This circumstance was utilized at the very beginning of the fullerene era resulting in the high-T c superconductivity of an organic crystal (C 60 doped with alkali metals) [1]. Afterwards, C 60 was intercalated with rare gas atoms [2][3][4][5][6][7] and molecules of different symmetries and sizes [8][9][10][11][12][13][14]. It is commonly accepted that changes in the physical properties of fullerite C 60 brought about by intercalation with neutral species are mainly due to the doping-related change in the molar volume.…”

Section: Introductionmentioning

confidence: 99%

Hysteretic phenomena in Xe-doped C60 from x-ray diffraction

Prokhvatilov

Galtsov

Legchenkova

et al. 2005

Low Temperature Physics

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Polycrystalline fullerite Ñ 60 intercalated with Xe atoms at 575 K and a pressure of 200 MPa was studied by powder x-ray diffraction. The integrated intensities of a few brighter reflections have been utilized to evaluate the occupancy of the octahedral interstitial sites in Ñ 60 crystals, which turned out to be (34±4) %, and in good agreement with another independent estimate. It is found that reflections of the (h00) type become observable in Xe-doped Ñ 60 . The presence of xenon in the octahedral sites affects both the orientational phase transition as well as the glassification process, decreasing both characteristic temperatures as well as smearing the phase transition over a greater temperature range. Considerable hysteretic phenomena have been observed close to the phase transition and the glassification temperature. The signs of the two hysteresis loops are opposite. There is reliable evidence that at lowest temperatures studied the thermal expansion of the doped crystal is negative under cool-down.

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Methane-intercalatedC60: Preparation, orientational ordering, and structure

Cited by 40 publications

References 12 publications

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Pocket and antipocket conformations for the CH₄@C₈₄ endohedral fullerene

Hysteretic phenomena in Xe-doped C60 from x-ray diffraction

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Methane-intercalatedC60: Preparation, orientational ordering, and structure

Cited by 40 publications

References 12 publications

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Intercalation of fullerite C60 with N2 molecules. An investigation by x-ray powder diffraction

Pocket and antipocket conformations for the CH4@C84 endohedral fullerene

Hysteretic phenomena in Xe-doped C60 from x-ray diffraction

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Pocket and antipocket conformations for the CH₄@C₈₄ endohedral fullerene