Synthesis and Reaction of Fullerene C<sub>70</sub> Encapsulating Two Molecules of H<sub>2</sub>

Murata, Michihisa; Maeda, Shuhei; Morinaka, Yuta; Murata, Yasujiro; Komatsu, Kôichi

doi:10.1021/ja8076846

Cited by 129 publications

(136 citation statements)

References 16 publications

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“…Furthermore, the preparation of (H 2 ) 2 @C 70 [55] presages the availability of whole families of endofullerenes encapsulating several small molecules. We list below some ways that these materials might be used to prepare and study nuclear spin isomers.…”

Section: Future Directionsmentioning

confidence: 99%

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes

Chen

Frunzi

et al. 2013

Phil. Trans. R. Soc. A.

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Spectroscopic studies of recently synthesized endofullerenes, in which H 2 , H 2 O and other atoms and small molecules are trapped in cages of carbon atoms, have shown that although the trapped molecules interact relatively weakly with the internal environment they are nevertheless susceptible to appropriately applied external perturbations. These properties have been exploited to isolate and study samples of H 2 in C 60 and other fullerenes that are highly enriched in the para spin isomer. Several strategies for spin-isomer enrichment, potential extensions to other endofullerenes and possible applications of these materials are discussed.

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Section: Future Directionsmentioning

confidence: 99%

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes

Chen

Frunzi

et al. 2013

Phil. Trans. R. Soc. A.

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“…In addition to the increasing literature on the chemical principles [5,6,7,8,9,10,11,12], spectroscopic investigations using infra-red (IR) [3,13,14,15], inelastic neutron scattering (INS) [3,16,17] and nuclear magnetic resonance (NMR) [3,18,19] have probed the physical characteristics of these complexes. Also, heat capacity measurements have identified a small splitting of the rotational line associated with the symmetry of the crystal field, a first indication of inter-fullerene contributions to the effective cage potential [20].…”

Section: Introductionmentioning

confidence: 99%

Inelastic neutron scattering investigations of the quantum molecular dynamics of a H2molecule entrapped inside a fullerene cage

et al. 2012

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“…1 The dihydrogen and water endofullerenes H 2 @C 60 , H 2 O@C 60 , and their isotopologues, have been synthesized by the procedure known as 'molecular surgery', in which synthetic operations are used to open a hole in the fullerene allowing encapsulation of the guest, followed by a suturing technique to reform the pristine fullerene shell. [2][3][4] Recently the approach has been extended to C 70 and C 59 N. [5][6][7] The confined molecules display quantization of their coupled translational and rotational degrees of freedom, and exhibit phenomena such as nuclear spin isomerism and orthopara conversion. [8][9][10][11][12] Recently it was shown that nuclear spin conversion of the encapsulated water molecules in H 2 O@C 60 leads to a change in the dielectric constant of the material.…”

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The dipolar endofullerene HF@C60

et al. 2016

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Abstract:The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report encapsulation of hydrogen fluoride inside C 60 using molecular surgery to give the endohedral fullerene HF@C 60 . The key synthetic step is the closure of the open fullerene cage while minimizing escape of HF. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1 H-19 F Jcoupling typical of an isolated species. The dipole moment of HF@C 60 was estimated from the temperature-dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole.Molecular endofullerenes consist of fullerene cages encapsulating small molecules, which are free to rotate and translate inside the cage. 1 The dihydrogen and water endofullerenes H 2 @C 60 , H 2 O@C 60 , and their isotopologues, have been synthesized by the procedure known as 'molecular surgery', in which synthetic operations are used to open a hole in the fullerene allowing encapsulation of the guest, followed by a suturing technique to reform the pristine fullerene shell. [2][3][4] Recently the approach has been extended to C 70 and C 59 N. [5][6][7] The confined molecules display quantization of their coupled translational and rotational degrees of freedom, and exhibit phenomena such as nuclear spin isomerism and orthopara conversion. [8][9][10][11][12] Recently it was shown that nuclear spin conversion of the encapsulated water molecules in H 2 O@C 60 leads to a change in the dielectric constant of the material. 13 One system of great interest is HF@C 60 , in which each fullerene cage contains a single hydrogen fluoride (HF) molecule. This material offers the possibility to study the spectroscopic properties of nearisolated and freely rotating HF molecules under a wide range of conditions, free from the complications of dimerization and hydrogen bonding. Predictions of the properties of HF@C 60 have been made using classical, 14 semiempirical 15,16 and quantum chemistry techniques. [17][18][19][20] Furthermore it has been postulated that endofullerenes containing freely rotating electric dipoles could exhibit ferroelectricity, due to cooperative alignment of the interacting electric dipole moments. 21 2The first examples of open-cage endofullerenes encapsulating a hydrogen fluoride molecule have recently appeared, including HF@1. 22,23 Herein we report the successful suturing of HF@1 to give the closed-cage species HF@C 60 . We present NMR, infrared, and neutron scattering data on HF@C 60 which show that the translational and rotational motions of the HF molecule inside the cage are quantized. Interactions with the cage modify the rotational and vibrational constants of the encapsula...

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Synthesis and Reaction of Fullerene C₇₀ Encapsulating Two Molecules of H₂

Cited by 129 publications

References 16 publications

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes

Inelastic neutron scattering investigations of the quantum molecular dynamics of a H2molecule entrapped inside a fullerene cage

The dipolar endofullerene HF@C60

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Synthesis and Reaction of Fullerene C70 Encapsulating Two Molecules of H2

Cited by 129 publications

References 16 publications

Nuclear spin isomers of guest molecules in H 2 @C 60 , H 2 O@C 60 and other endofullerenes

Nuclear spin isomers of guest molecules in H 2 @C 60 , H 2 O@C 60 and other endofullerenes

Inelastic neutron scattering investigations of the quantum molecular dynamics of a H2molecule entrapped inside a fullerene cage

The dipolar endofullerene HF@C60

Contact Info

Product

Resources

About

Synthesis and Reaction of Fullerene C₇₀ Encapsulating Two Molecules of H₂

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes

Nuclear spin isomers of guest molecules in H ₂ @C ₆₀ , H ₂ O@C ₆₀ and other endofullerenes