Nuclear Magnetic Resonance of Hydrogen Molecules Trapped inside C70 Fullerene Cages
| Autor: | Xuegong Lei, Ilya Kuprov, Judy Y.-C. Chen, Ivo Heinmaa, Salvatore Mamone, Mark Denning, Marina Carravetta, Yasujiro Murata, Maria Concistrè, Malcolm H. Levitt, Nicholas J. Turro, Yongjun Li, Gary Wall |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
Carbon-13 NMR satellite
010402 general chemistry 01 natural sciences cryogenic nmr spectroscopy chemistry.chemical_compound Nuclear magnetic resonance 0103 physical sciences Endohedral fullerene Physics::Atomic and Molecular Clusters C70 Physical and Theoretical Chemistry 010306 general physics Anisotropy solid-state nmr spectroscopy Nuclear magnetic resonance spectroscopy Articles Carbon-13 NMR Atomic and Molecular Physics and Optics 3. Good health 0104 chemical sciences NMR spectra database chemistry C70 fullerene endofullerenes Proton NMR quantum dynamics |
| Zdroj: | Chemphyschem |
| ISSN: | 1439-7641 1439-4235 |
| Popis: | We present a solid-state NMR study of H2 molecules confined inside the cavity of C70 fullerene cages over a wide range of temperatures (300 K to 4 K). The proton NMR spectra are consistent with a model in which the dipole-dipole coupling between the ortho-H2 protons is averaged over the rotational/translational states of the confined quantum rotor, with an additional chemical shift anisotropy δ(H)(CSA)=10.1 ppm induced by the carbon cage. The magnitude of the chemical shift anisotropy is consistent with DFT estimates of the chemical shielding tensor field within the cage. The experimental NMR data indicate that the ground state of endohedral ortho-H2 in C70 is doubly degenerate and polarized transverse to the principal axis of the cage. The NMR spectra indicate significant magnetic alignment of the C70 long axes along the magnetic field, at temperatures below ~10 K. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Plný text