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Nuclear Magnetic Resonance of Hydrogen Molecules Trapped inside C70 Fullerene Cages
- Source :
- Chemphyschem
- Publication Year :
- 2013
- Publisher :
- WILEY-VCH Verlag, 2013.
-
Abstract
- 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.
- Subjects :
- 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
Subjects
Details
- Language :
- English
- ISSN :
- 14397641 and 14394235
- Volume :
- 14
- Issue :
- 13
- Database :
- OpenAIRE
- Journal :
- Chemphyschem
- Accession number :
- edsair.doi.dedup.....9de1f347e6781a38311bf147c59be7cb