2D nuclear magnetic resonance analysis of osmylated C60

Hawkins, Joel M.; Loren, Stefan; Meyer, A.; Nunlist, Rudi

doi:10.1021/ja00020a054

Cited by 90 publications

(35 citation statements)

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“…[11][12][13] This analysis facilitated the unambiguous characterisation of the entire fullerene sphere ( Figure 1 and Table 1). For example, a four bond sequential connectivity was observed from the sp 3 carbon at 69.8…”

Section: Resultsmentioning

confidence: 92%

“…The structure of the tethered adduct 6 was unambiguously established by 2D INADEQUATE NMR experiments on 13 C enriched material. [11][12][13] The 1 H NMR spectrum of 6 showed three singlets at 4.03 (3H), 5.37 (2H) and 5.52 (2H) corresponding to the methyl ester and the two sets of benzylic methylene protons, respectively. The equivalence of the methylene protons on the individual benzylic carbons indicated a plane of symmetry that bisects the tether, the cyclopropane ring and the dihydropyrrole ring (see Figure 1).…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

et al. 2006

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Treatment of a tethered N-(diphenylmethylene)glycinate-malonate derivative with [60]fullerene under Bingel conditions yielded an e-edge- [60]fullerenylmethanodihydropyrrole adduct in a regioselective manner. The regiochemical outcome was independent of the order of addition of either the N-(diphenylmethylene)glycinate or the malonate moieties. This new bis-adduct was also prepared in 13C enriched form allowing for its unequivocal structural characterization by 2D INADEQUATE NMR experiments. Ring-opening of the dihydropyrrole functionality of the bisadducts under reductive conditions gave exclusively novel dihydromethano [60]

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Section: Resultsmentioning

confidence: 92%

Section: Resultsmentioning

confidence: 99%

Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

et al. 2006

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“…4) and the C,C coupling constants were determined. 87 Essentially, two types of 1 J(C,C) values were observed: 54-57 Hz couplings corresponding to six-five ring fusions and 65-71 Hz corresponding to six-six ring fusions. From these values the s character of the bonds was calculated.…”

Section: Cc-connectivitiesmentioning

confidence: 95%

Connectivities in molecules by INADEQUATE: recent developments

Buddrus

Lambert

2001

Magnetic Reson in Chemistry

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The INADEQUATE (Incredible Natural Abundance DoublE QUAntum Transfer Experiment) consists of a pulse sequence which eliminates the NMR signals from isolated spins (spin system A) displaying signals from coupled spins (spin system AX or higher spin systems). It is of great importance when applied to molecules with skeleton elements such as carbon, silicon or tungsten, all of which contain a small percentage of spin-1 2 isotopes embedded in magnetically inactive isotopes. Analysis of the AX type spectra gives one-bond and long-range coupling constants (see compound 6) and, most important, the connectivity pattern of the skeleton atoms in molecules of unknown structure such as the carbon compounds 1 or 2, the silicon compound 3 or the lithium compound 4b. Unfortunately, INADEQUATE is rather insensitive, in the case of carbon only one out of 10 4 molecules gives the desired response. Efforts to reduce this drawback are described; recently, a remarkable step forward has been made by concentrating the four lines of an AX spin system to just two signals (see Fig. 2).

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“…24 Using the modified C 60 compounds having a chemically attached "handle" outside the cage, which was evidenced by 2D-NMR in solutions, the molecular rotation in the crystal was frozen to analyze the atomic structure within the fullerene cage directly from the X-ray diffraction pattern. 25,26 In the NMR spectroscopy of solid C 60 , anisotropic lineshape was observed at low temperatures. 27,28 Tycko and his colleagues found an anomalous behavior in the 13 C nuclear spin-lattice relaxation time T 1 at ∼ 260 K. 29 In addition to the sharp line exhibiting rotational narrowing, a broad band due to the anisotropic component was superposed below ∼ 150 K. 29 The rotational ordering transition in solid C 60 was observed also by low temperature X-ray diffraction.…”

Section: Physical Properties Of Fullerenesmentioning

confidence: 99%

FULLERENE C₆₀: A POSSIBLE MOLECULAR QUANTUM COMPUTER

Wakabayashi¹

2009

Molecular Realizations of Quantum Computing 2007

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Fullerene C 60 is a molecule with a hollow space in its closed cage of sixty carbon atoms and able to accommodate atoms or molecules inside. Recently, the system of an electron spin coupled with a nuclear spin of a nitrogen atom trapped inside C 60 (N@C 60 ) has been demonstrated to be a possible qubit system for the implementation of quantum computation (QC) and quantum information processing (QIP). In the last decade, there has appeared an increasing number of reports for this molecule, on its magnetic properties, ideas for physical realization as quantum computers, and experimental approaches based on the magnetic resonance techniques. In this Chapter, the research areas on the topic on the fullerene-based QC/QIP are reviewed together with a relevant part of the fullerene stories. The production of N@C 60 in our research group is introduced.

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2D nuclear magnetic resonance analysis of osmylated C60

Cited by 90 publications

References 0 publications

Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

Connectivities in molecules by INADEQUATE: recent developments

FULLERENE C₆₀: A POSSIBLE MOLECULAR QUANTUM COMPUTER

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2D nuclear magnetic resonance analysis of osmylated C60

Cited by 90 publications

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Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

Regioselective Synthesis of Novel e‐Edge‐[60]fullerenylmethanodihydropyrroles and 1,2‐Dihydromethano[60]fullerenes.

Connectivities in molecules by INADEQUATE: recent developments

FULLERENE C60: A POSSIBLE MOLECULAR QUANTUM COMPUTER

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FULLERENE C₆₀: A POSSIBLE MOLECULAR QUANTUM COMPUTER