Spectral editing in 13C CP/MAS experiments at high magnetic field

Hu, Jian Zhi; Wu, Xiaoling; Yang, Nannan; Li, Liyun; Ye, Chaohui; Kuangzong, Qin

doi:10.1016/0926-2040(95)01203-6

Cited by 11 publications

(9 citation statements)

References 32 publications

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“…In our implementation, the TPPM cycle consisted of two pulses with a 16°phase difference between them. The TOSS sequence was used to eliminate the spinning sidebands associated with chemical shift anisotropy and the combination of TOSS with the original spectral editing techniques had been demonstrated previously (11). In summary, the experiments for the revised spectral editing include:…”

Section: Pulse Sequence and Spectroscopic Parametersmentioning

confidence: 99%

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Harper

Taylor

et al. 2000

Journal of Magnetic Resonance

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Section: Pulse Sequence and Spectroscopic Parametersmentioning

confidence: 99%

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Harper

Taylor

et al. 2000

Journal of Magnetic Resonance

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“…Single crystal X-ray diffraction is an established method in defining solid state structures of molecules [23], but preparation of single crystals suitable for single crystal X-ray crystallography of bile acid derivatives can be a rather difficult task. Structure solution based on theoretical calculations, powder X-ray diffraction (PXRD) methods, and/or solid state (SS) cross polarization (CP) magic angle spinning (MAS) NMR experiments has been demonstrated to be a very promising alternative [24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39], opening opportunities for investigation of solid state structures even in cases, where no suitable single crystals for single crystal X-ray crystallography are obtained.…”

Section: Introductionmentioning

confidence: 99%

Structural studies on lithocholyl-N-(2-aminoethyl)amide in the solid state

et al. 2009

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The synthetic procedure of lithocholyl-N-(2-aminoethyl)amide yielded a mixture of several forms detected by solid state 13 C CP/MAS NMR although the solution state NMR unambiguously ascertained that the compound was pure. By recrystallization from various solvents one pure polymorph alongside with four solvates were isolated. The structures of the pure polymorph and the solvates were characterized by 13 C and 15 N CP/MAS NMR and powder X-ray diffraction (PXRD) methods. Variable contact time and dipolar dephasing experiments were employed to obtain optimized CP parameters and to distinguish various CH n (n = 0-3) resonances. CSA analyses of spinning side bands at different spinning rates showed small variations in the shielding tensor values of the carbonyl group between the pure polymorph (recrystallized from acetonitrile, tetrahydrofuran and 1,4-dioxane) and p-xylene solvate.

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“…The isotropic chemical shift has traditionally been relied on to provide details of structural elements in complex hydrocarbon materials . Using modern SSNMR experiments, such as the 13 C CP/MAS spectral editing techniques pioneered by the Zilm group and recently refined and adapted to principal value measurements by Hu, − it is possible to extract the more detailed information provided by the principal values of the chemical shift tensor in these materials. A good account of the state of the art in the measurement of chemical shift tensor components and using this information to gain structural information in coals, etc.…”

Section: Introductionmentioning

confidence: 99%

Cluster Analysis of ¹³C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons

et al. 2001

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This paper presents a hierarchical cluster analysis of the principal values of the 13 C chemical shift tensors encountered in polycyclic aromatic hydrocarbons (PAHs). Because of the limited set of experimental data presently available, the analysis was performed using chemical shifts tensors calculated using the DFT (B3PW91) GIAO method with a D95 basis set on optimized molecular geometries obtained using the CVFF force field and the DISCOVER routine in MSI's InsightII package. The good correlation observed between the calculated and the available experimental values supports the use of calculated values in the analysis. The hierarchical cluster analysis was performed for two data sets of increasing size and the classification was found independent of the size of the sample, leading to the conclusion that the results presented here are valid for the types of PAHs reported. The classification of the tensors using hierarchical cluster analysis produces classes of chemical shift principal values that can be associated with intuitive chemical types of carbons present in PAHs.

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Spectral editing in 13C CP/MAS experiments at high magnetic field

Cited by 11 publications

References 32 publications

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Structural studies on lithocholyl-N-(2-aminoethyl)amide in the solid state

Cluster Analysis of ¹³C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons

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Spectral editing in 13C CP/MAS experiments at high magnetic field

Cited by 11 publications

References 32 publications

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Modified Spectral Editing Methods for 13C CP/MAS Experiments in Solids

Structural studies on lithocholyl-N-(2-aminoethyl)amide in the solid state

Cluster Analysis of 13C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons

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Cluster Analysis of ¹³C Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons