ResourceSpectroscopy

2-Thienyllithium in the Solid State and in Solution – Insights from X-Ray Crystallographic and NMR Spectroscopic Data

4 Aug 2015

To demonstrate the potential of a combined approach using both X-ray and NMR, the analysis of various 2-thienyllithium derivatives in the solid state by both techniques is described. The results demonstrate that this combined approach allows insights to be gained into the similarities as well as the differences between the solid state and solution structures of these 2-thienyllithium derivatives.

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NMR and EPR SpectroscopyNuclear magnetic resonance (NMR) spectroscopy is used to resolve the local chemical environment of atomic nuclei with spin, revealing information on molecular structure, dynamic processes and chemical reactions of organic molecules, from proteins to synthetics. Electron paramagnetic resonance (EPR) also known as electron spin resonance (ESR) spectroscopy is used to detect and quantify paramagnetic species in a sample, including free radicals as transition metal ions. By immersing the sample in a strong magnetic field, both NMR and EPR spectrometers probe the sample with either radio waves or microwaves respectively. A range of benchtop, solid-state and time domain NMR spectrometers & EPR spectrometers are available, as well as NMR tubes, NMR solvents, software, coils, and magnets. Find the best NMR & EPR equipment in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.X-ray CrystallographyX-ray crystallography is an analytical technique used to determine the arrangement of atoms in a crystal. Monochromatic x-rays are produced from a synchrotron or x-ray generator. An x-ray crystallography system uses a detector to measure the x-ray diffraction from the crystal. The information is used to generate a 3D image of the crystal.Protein CrystallographyProtein crystallization is the process of crystallizing purified proteins for 3D structure analysis by x-ray crystallography. The main methods of protein crystallization include sitting drop, hanging drop and microbatch. It is important to control parameters such as pH, temperature and concentration. Following crystallization, detectors and software are used for data collection and analysis.X-Ray Diffraction and SpectroscopyX-Ray diffraction & spectroscopy are used in material characterization to discern the structure and elemental composition of a sample. X-Ray diffractometers (XRD) are superior instruments in elucidating the dimensional atomic structure of crystalline materials, including powders, thin films and single crystals. For large unit cells or ordered macromolecules, consider small-angle X-ray scattering (SAXS). X-ray spectroscopic techniques include X-ray fluorescence (XRF) and X-ray photoelectron spectroscopy (XPS), both providing simple and accurate methods for determining the elemental composition of a material. Energy dispersive (EDXRF) and wavelength dispersive (WDXRF) XRF spectrometers are available, as well as handheld/portable devices. High-resolution, 3D microstructure characterization of materials can be achieved with X-ray microscopes combining sub-micron resolution imaging with 3D computed tomography. Find the best XRD and XRF spectrometers in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.NMR
2-Thienyllithium in the Solid State and in Solution – Insights from X-Ray Crystallographic and NMR Spectroscopic Data