Nuclear magnetic resonance correlation spectra

We present a solid-state nuclear magnetic resonance (NMR) experiment that allows the observation of a high-resolution two-dimensional heteronuclear correlation (2D HETCOR) spectrum between aluminum and phosphorous in aluminophosphate molecular sieve VPI-5. The experiment uses multiple quantum magic angle spinning (MQMAS) spectroscopy to remove the second order quadrupolar broadening in Al nuclei. The magnetization is then transferred to spin-1/2 nuclei of P via cross polarization (CP) to produce for the first time isotropic resolution in both dimensions. 

Nuclear Magnetic Resonance Spectra. In contrast to the behavior of regular aromatic compounds, the HNMR solvent shifts for phthalazine and other heteroaromatic molecules showed no correlation with reactivity parameters for simple compounds.The NNMR spectrum of phthalazine has been discussed in the context of other diazine spectra. 

Lerner L, Bax A (1986) Sensitivity-enhanced two-dimensional heteronuclear relayed coherence transfer NMR spectroscopy. J Magn Reson 69 375-380 Leupin W, Wagner G, Denny WA, Wiithrich K (1987) Assignment of the carbon-13 nuclear magnetic resonance spectrum of a short DNA-duplex with proton-detected two-dimensional heteronuclear correlation spectroscopy. Nucl Acid Res 15 267-275 Levy GC, Lichter RL (1979) Nitrogen-15 nuclear magnetic resonance spectroscopy. John Wiley, New York... 

Whereas the paramagnetic shift of the nuclear magnetic resonance frequency for a given applied field is related to the strength of the local hyperfine field at the nuclear site, induced by the electronic moments, the nuclear spin-lattice relaxation rate yields information about the low-frequency spectrum of thermally induced spin fluctuations. The influence of pair-correlation effects on the NMR relaxation in paramagnets was analysed experimentally and theoretically by... 

Padwa, A., Shelter, E., Alexander, E. (1968). The correlation of the crystal and molecular structure with the nuclear magnetic resonance spectrum of a bicyclo[l.l.l]pentane derivative. J. Am. Chem. Soc., 90(14), 3717-3721. 

Nuclear magnetic resonance (NMR) spectroscopy has great relevance in the area of investigation of molecular structures. Many studies using NMR spectroscopy and microscopy have been reported in elastomer based systems. Due to the possibihty of reuse of samples after the analysis (NMR is nondestructive) NMR attracts many material scientists to select this technique for characterization. In the case of polymers NMR is specifically useful in finding out the crosslink density. Since the crosslink density is related to the size of pores or cavities inside solid polymers, this method points towards the structural elucidation of polymers. From the parameters such as magnetic relaxation and the dipolar correlation effect obtained from the NMR spectrum, crosslink density can be calculated. In addition to the crosslink density, the behaviour of small particles inside the polymer matrices can also be... 

This section provides correlation charts and operational information for the design and interpretation of ultraviolet-visible spectrophotometric (UV-Vis) measurements. While UV-Vis is perhaps not as information-rich as infrared or nuclear magnetic resonance, it nonetheless has value in structure determination and sample identification. Moreover, it is extremely valuable in quantitative work. Typical UV-Vis instruments cover not only the UV and visible spectrum, but the near-infrared as well. Although there is overlap among the ranges, the approximate breakdown is ... 

Nuclear magnetic resonance (NMR) line width studies of crystalline polymers are based on the work of Wilson and Pake [102], This method was, however, unsuccessful due to the rather arbitrary decomposition procedures used, which yielded a crystalline fraction that was not in agreement with crystallinity results obtained by the X-ray method. To overcome this difficulty Bergmann [103-105] decomposed the spectrum into three components and this resulted in an excellent agreement between NMR and X-ray crystallinities. Unfortunately, with this method it was not possible to prove the existence of the two amorphous components of the polymer examined. Also, the two amorphous mobilities could not be predicted theoretically. Bergmann [106] succeeded eventually, as discussed next, in improving the separation procedure by finding more suitable line widths for the crystalline and amorphous components of the polymer. In this procedure a new method was evolved for the determination of the crystalline component and of the amorphous component based on a distribution of correlation times, instead of the two discrete correlation times as used in earlier work [103-105],... 

Nuclear magnetic resonance (NMR) spectroscopy is the most informative analytical technique and is widely applied in combinatorial chemistry. However, an automated interpretation of the NMR spectral results is difficult (3,4). Usually the interpretation can be supported by use of spectrum calculation (5-18) and structure generator programs (8,12,18-21). Automated structure validation methods rely on NMR signal comparison using substructure/ subspectra correlated databases or shift prediction methods (8,15,22,23). We have recently introduced a novel NMR method called AutoDROP (Automated Definition and Recognition of Patterns) to rapidly analyze compounds libraries (24-29). The method is based on experimental data obtained from the measured ID or 2D iH,i C correlated (HSQC) spectra. 

Figure 9 (A) Typical line shape of an observed quadrupolar nucleus S, showing the second-order quadrupole shift AcTqs, and the relative position of the centre-of-gravity with respect to the isotropic chemical shift ajso- (B) Al solid-state MAS NMR spectrum of Sr8(AI02)i2-Se2 at 78.15 MHz (7.05 T). Asterisks denote sidebands. Reproduced with permission of Elsevier Science Publishers from Weller MT, Brenchley ME, Apperley DC and Davies NA (1994) Correlations between aI magic-angle spinning nuclear magnetic resonance spectra and the coordination geometry of framework alumlnates. Solid State Nuclear Magnetic Resonance Z 103-106.

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