Hydrogen magnetic resonance spectroscopy

Choe BY, Suh TS, Shinn KS, Lee CW, Lee C, et al. 1996. Observation of metabolic changes in chronic schizophrenia after neuroleptic treatment by in vivo hydrogen magnetic resonance spectroscopy. Invest Radiol 31 345-352. 

We saw in Chapter 12 that mass spectrometry gives a molecule s formula and infrared spectroscopy identifies a molecule s functional groups. Nuclear magnetic resonance spectroscopy does not replace either of these techniques rather, it complements them by "mapping" a molecule s carbon-hydrogen framework. Taken together, mass spectrometry, JR, and NMR make it possible to determine the structures of even very complex molecules. 

There are two major experimental techniques that can be used to analyze hydrogen bonding in noncrystalline polymer systems. The first is based on thermodynamic measurements which can be related to molecular properties by using statistical mechanics. The second, and much more powerful, way to elucidate the presence and nature of hydrogen bonds in amorphous polymers is by using spectroscopy (Coleman et al., 1991). From the present repertoire of spectroscopic techniques which includes IR, Raman, electronic absorption, fluorescence, and magnetic resonance spectroscopy, the IR is by far the most sensitive to the presence of hydrogen bonds (Coleman et al., 1991). 

Nuclear Magnetic Resonance Spectroscopy in Homogeneous Hydrogenation Research... 

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY HYDROGEN NUCLEI... 

Although Eibner elucidated the structure between 1904 and 1906, it was only through IR and nuclear magnetic resonance spectroscopy (NMR) that the chro-maticity of these molecules could be attributed to keto-enol tautomerism and simultaneous hydrogen bond formation (structures 137a = 137b) [2]. 

Nuclear magnetic resonance spectroscopy has been developed as a standard method for the determination of hydrogen types in aviation turbine fuels (ASTM D3701). X-ray fluorescence spectrometry has been applied to the determination of lead in gasoline (ASTM D2599) as well as to the determination of sulfur in various petroleum products (ASTM D2622, D4294). 

Low-resolution nuclear magnetic resonance spectroscopy can also be used to determine percent by weight hydrogen in jet fuel (ASTM D3701) and in light distillate, middle distillate, and gas-oil (ASTM D4808). As noted above, chromatographic methods are not applicable to naphtha, where losses can occur by evaporation. 

The hydrogen content of fuel oil can also be measured by low-resolution magnetic resonance spectroscopy (ASTM D3701, D4808). The method is claimed to... 

A reevaluation of molecular structure of humic substances based on data obtained primarily from nuclear magnetic resonance spectroscopy, X-ray absorption near-edge structure spectroscopy, electrospray ionization-mass spectrometry, and pyrolysis studies was presented by Sutton and Sposito (2005). The authors consider that humic substances are collections of diverse, relatively low molecular mass components forming dynamic associations stabilized by hydrophobic interactions and hydrogen bonds. These associations are capable of organizing into micellar structures in suitable aqueous environments. Humic components display contrasting molecular motional behavior and may be spatially segregated on a scale of nanometers. Within this new structural context, these components comprise any molecules... 

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