Nuclear resonance inelastic X-ray scattering

APD = avalanche photodiode detector APS = advanced photon source DFT = density functional theory ESRF = European synchrotron radiation facility HOPE = high-density polyethylene IR = infrared INS = inelastic neutron scattering KED = kinetic energy distribution Mb = myoglobin NIS = nuclear inelastic scattering NRVS = nuclear resonance vibrational spectroscopy NRIXS = nuclear resonant inelastic X-ray scattering OEP = octaethylporphyrin sGC = soluble guanylate cyclase VDOS = vibrational density of states. 

This review article is concerned with the structure, bonding, and dynamic processes of water molecules in crystalline solid hydrates. The most important experimental techniques in this field are structural analyses by both X-ray and neutron diffraction as well as infrared and Raman spectroscopic measurements. However, nuclear magnetic resonance, inelastic and quasi elastic neutron scattering, and certain less frequently used techniques, such as nuclear quadrupole resonance, electron paramagnetic resonance, and conductivity and permittivity measurements, are also relevant to solid hydrate research. 

Historically, hydrogen exchange experiments (i.e., the replacement of one isotope of hydrogen bound to an O, N, or S atom in the protein interior by another isotope from the solvent water) provided some of the earliest evidence for the existence of conformational fluctuations in proteins. More recently, a wide range of experimental methods (such as fluorescence quenching and depolarization, nuclear magnetic resonance relaxation, infrared and Raman spectroscopy, and X-ray and inelastic neutron scattering) have been used to study the motions in proteins. However, it is primarily the application of theoretical methods, particularly molecular dynamics simulations, that have... 

Spectroscopies such as X-ray, 2D nuclear magnetic resonance, neutron diffraction, and inelastic neutron scattering provide a representation of molecular structure in terms of nuclear spatial coordinates and a thermal noise. We shall indicate this set of coordinates with r,, for i = 1, 2,. . . , nuclei, and take its origin at the center of mass. 

XSC X-ray single crystal diffraction (ADPs), XPD X-ray powder diffraction (ADPs), NSC neutron single crystal diffraction (ADPs), NPD neutron powder diffraction (ADPs), Cp heat capacity data, TC thermal conductivity data, INS inelastic neutron scattering, NIS nuclear inelastic scattering, MOE MoBbauer spectroscopy, MA microwave absorption spectroscopy, EXAFS extended X-ray absorption fine structure spectroscopy, RA Raman spectroscopy, FTE fits to thermal expansion data, ElRes fit to electrical resistivity data, RUS resonant ultrasound spectroscopy... 

Infrared spectroscopy (IR) Raman spectroscopy X-ray absorption spectrometry (XANES, EXAFS) Nuclear magnetic resonance (NMR) Inelastic neutron scattering (INS)... 

From the many available spectroscopic techniques, the most frequently employed to provide information at the microscopic level in the study of zeolites are. X-ray diffraction and Inelastic Neutron Scattering (INS), infrared (IR) or Raman absorption spectroscopy and mmltinuclear Solid State Nuclear Magnetic Resonance (NMR). 

Ro-vibronic spectroscopies in the UV-Visible-Infrared and Micro-wave energy range, X ray and electron diffraction, incoherent and coherent elastic and inelastic neutron scattering, Raman scattering. Nuclear Magnetic resonances etc. all contain a vibrational contribution. Other non spectroscopic properties such as the various thermodynamical quantities contain the vibrational contributions. 

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