Inelastic Neutron Scattering Spectroscopy

Parker, Stewart F.

doi:10.1002/0470027320.s0607

Cited by 7 publications

(8 citation statements)

References 20 publications

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“…where is the wavelength of the incident neutron (114). These wavelengths are within the scale of internuclear distances, contrary to optical spectroscopy were the photon wavelength is larger than the charge distribution alterations associated to excitation (98,115).…”

Section: Inelastic Neutron Scattering Spectroscopymentioning

confidence: 98%

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Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Mamede

Gonçalves

Marques

et al. 2017

Applied Spectroscopy Reviews

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One of the biggest struggles of biological anthropology is to estimate the biological profile from burned human skeletal remains. Bioanthropological methods are seriously compromised due to bone heat-induced alterations in shape and size. Therefore, it is urgent to improve our ability to estimate sex, age at death, stature and ancestrality, to recognize peri mortem traumas and differentiate them from fractures due to fire, and to determine what was the intensity of burning, namely maximum temperature and heat exposure length. This review focuses on different methodologies to assess heat prompted changes in bone submicrostructure. Some of these are extensively used in burned bones research, namely infrared and Raman spectroscopy and X-ray diffraction, while others such as neutron spectroscopy and diffraction are rarely applied to bone samples although their contribution may be crucial for establishing new bioanthropological methods for a reliable examination of burned victims.

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Section: Inelastic Neutron Scattering Spectroscopymentioning

confidence: 98%

“…So, assumes a very small value for any scattering angle and Q is also very small. Thus in both Raman and IR only the vibrational transitions at zero wavevector are visible (114) while in INS every wavevector is observable and, consequently, every vibrational mode can be detected.…”

Section: Inelastic Neutron Scattering Spectroscopymentioning

confidence: 99%

Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Mamede

Gonçalves

Marques

et al. 2017

Applied Spectroscopy Reviews

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“…68 While none of the vibrations are forbidden by symmetry, also polar modes are equivalently allowed, then, the LO modes can also contribute to the spectrum. However, while a rather lower-wavenumber range is practically accessible to INS, such effects are not so prominent in the case of molecular systems as in infrared spectroscopy.…”

Section: The Journal Of Physical Chemistry Bmentioning

confidence: 99%

Experimental (X-ray, ¹³C CP/MAS NMR, IR, RS, INS, THz) and Solid-State DFT Study on (1:1) Co-Crystal of Bromanilic Acid and 2,6-Dimethylpyrazine

et al. 2015

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A combined structural, vibrational spectroscopy, and solid-state DFT study of the hydrogen-bonded complex of bromanilic acid with 2,6-dimethylpyrazine is reported. The crystallographic structure was determined by means of low-temperature single-crystal X-ray diffraction, which reveals the molecular units in their native protonation states, forming one-dimensional infinite nets of moderate-strength O···H-N hydrogen bonds. The nature of the crystallographic forces, stabilizing the studied structure, has been drawn by employing the noncovalent interactions analysis. It was found that, in addition to the hydrogen bonding, the intermolecular forces are dominated by stacking interactions and C-H···O contacts. The thermal and calorimetric analysis was employed to probe stability of the crystal phase. The structural analysis was further supported by a computationally assisted (13)C CP/MAS NMR study, providing a complete assignment of the recorded resonances. The vibrational dynamics was explored by combining the optical (IR, Raman, TDs-THz) and inelastic neutron scattering (INS) spectroscopy techniques with the state-of-the-art solid-state density functional theory (DFT) computations. Despite the quasi-harmonic approximation assumed throughout the study, an excellent agreement between the theoretical and experimental data was achieved over the entire spectral range, allowing for a deep and possibly thorough understanding of the vibrational characteristics of the system. Particularly, the significant influence of the long-range dipole coupling on the IR spectrum has been revealed. On the basis of a wealth of information gathered, the recent implementation of a dispersion-corrected linear-response scheme has been extensively examined.

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“…Another vibrational spectroscopy technique, complementary to infrared and Raman, is the INS spectroscopy. 19 Importantly, no selection rules restrict this technique and all modes are allowed. The same is valid for EELS, which relies on inelastic electron scattering.…”

Section: Introductionmentioning

confidence: 99%

Power of Infrared and Raman Spectroscopies to Characterize Metal-Organic Frameworks and Investigate Their Interaction with Guest Molecules

et al. 2020

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The variety of functionalities and porous structures inherent to metal-organic frameworks (MOFs) together with the facile tunability of their properties makes these materials suitable for a wide range of existing and emerging applications. Many of these applications are based on processes involving interaction of MOFs with guest molecules. To optimize a certain process or successfully design a new one, a thorough knowledge is required about the physicochemical characteristics of materials and the mechanisms of their interaction with guest molecules. To obtain such important information, various complementary analytical techniques are applied, among which vibrational spectroscopy (IR and Raman) plays an important role and is indispensable in many cases. In this review, we critically examine the reported applications of IR and Raman spectroscopies as powerful tools for initial characterization of MOF materials and for studying processes of their interaction with various gases. Both the advantages and the limitations of the technique are considered, and the cases where IR or Raman spectroscopy is preferable are highlighted. Peculiarities of MOFs interaction with specific gases and some inconsistent band assignments are also emphasized. Summarizing the broad analytical possibilities of the IR and Raman spectroscopies, we conclude that it can be applied in combinations with other techniques to explicitly establish the structure, properties, and reactivity of MOFs.

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Inelastic Neutron Scattering Spectroscopy

Cited by 7 publications

References 20 publications

Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Experimental (X-ray, ¹³C CP/MAS NMR, IR, RS, INS, THz) and Solid-State DFT Study on (1:1) Co-Crystal of Bromanilic Acid and 2,6-Dimethylpyrazine

Power of Infrared and Raman Spectroscopies to Characterize Metal-Organic Frameworks and Investigate Their Interaction with Guest Molecules

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Inelastic Neutron Scattering Spectroscopy

Cited by 7 publications

References 20 publications

Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis

Experimental (X-ray, 13C CP/MAS NMR, IR, RS, INS, THz) and Solid-State DFT Study on (1:1) Co-Crystal of Bromanilic Acid and 2,6-Dimethylpyrazine

Power of Infrared and Raman Spectroscopies to Characterize Metal-Organic Frameworks and Investigate Their Interaction with Guest Molecules

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Product

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Experimental (X-ray, ¹³C CP/MAS NMR, IR, RS, INS, THz) and Solid-State DFT Study on (1:1) Co-Crystal of Bromanilic Acid and 2,6-Dimethylpyrazine