Nuclear Resonance Vibrational Spectroscopy (
            <scp>NRVS</scp>
            )

Zeng, Weiqiao; Silvernail, Nathan J.; Scheidt, W. Robert; Sage, J. Timothy

doi:10.1002/0470862106.ia321

Cited by 5 publications

(4 citation statements)

References 78 publications

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“…3. The quantitative nature of NRVS is underscored by the fact that the area of each peak is equal to a quantity named mode composition factor

e_{j α}^{2}

, 17,31 defined as the fraction of the total kinetic energy of mode α associated with motion of atom j . The individual peaks and the corresponding

e_{italicSn}^{2}

values are listed in Table 1.…”

Section: Resultsmentioning

confidence: 99%

“…Their rich spectra are fairly well understood (particularly above 400 cm –1 ), with band assignments having been reported for numerous metalloporphyrins with various metal centers, peripheral groups, and axial ligands, as well as for metal-free compounds. Much newer − is the synchrotron-based nuclear resonance vibrational spectroscopy (NRVS) technique, , also known as nuclear inelastic scattering (NIS) or nuclear resonant inelastic X-ray scattering (NRIXS), available only at a few third-generation synchrotron facilities. NRVS takes advantage of tunable, highly brilliant, stable X-ray beams to target a specific (Mössbauer) isotope, regardless of the complexity of the molecule investigated.…”

Section: Introductionmentioning

confidence: 99%

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Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study

et al. 2013

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We used a newer, synchrotron-based, spectroscopic technique (nuclear resonance vibrational spectroscopy, NRVS) in combination with a more traditional one (infrared absorption, IR) to obtain a complete, quantitative picture of the metal center vibrational dynamics in a six-coordinated tin porphyrin. From the NRVS 119Sn site-selectivity and the sensitivity of the IR signal to 112Sn/119Sn isotope substitution, we identified the frequency of the antisymmetric stretching of the axial bonds (290 cm−1) and all the other vibrations involving Sn. Experimentally authenticated density functional theory (DFT) calculations aid the data interpretation by providing detailed normal mode descriptions for each observed vibration. These results may represent a starting point towards the characterization of the local vibrational dynamics of the metallic site in tin porphyrins and compounds with related structures. The quantitative complementariness between IR, NRVS, and DFT is emphasized.

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“…3. The quantitative nature of NRVS is underscored by the fact that the area of each peak is equal to a quantity named mode composition factor

e_{j α}^{2}

, 17,31 defined as the fraction of the total kinetic energy of mode α associated with motion of atom j . The individual peaks and the corresponding

e_{italicSn}^{2}

values are listed in Table 1.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study

et al. 2013

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“…[93][94][95][96][97][98][99][100][101][102][103][104][105] This provides the opportunity to study the ligation and oxidation state of a specific site. The high brilliance of SR allows us to measure the PDOS even for small samples, i.e., measurements under extreme conditions in which the accessible sample space is severely limited are possible.…”

Section: Detectormentioning

confidence: 99%

Condensed Matter Physics Using Nuclear Resonant Scattering

Seto

2013

J. Phys. Soc. Jpn.

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Mössbauer spectroscopy is a powerful and well-established method used in a wide variety of scientific applications. An outstanding feature of this method is that element specific information on electronic and phonon states can be obtained. The use of high-brilliance synchrotron radiation as an excitation source for Mössbauer measurements enables measurements to be recorded under extreme conditions such as high pressures, very high or very low temperatures, and strong external magnetic fields. In addition, the tunability of synchrotron radiation energy allows a wide range of nuclides to be used. Moreover, the use of synchrotron radiation enables the measurement of the element-and sitespecific phonon density of states. Another unique property of the method is the narrow energy width of the nuclear excited states, due to which the method is an effective tool for studying the slow dynamics of soft matter and glass transitions. The concepts and methods involved in these measurements are introduced and discussed, and the unique features of the methods are highlighted.

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“…For example, NRVS has been used to assign metal-ligand vibrational modes of diatomic molecules coordinated to porphyrins 26,28,29 and to detect nitrosylated iron-sulfur clusters in proteins. 30,31 NRVS and density functional theoretical (DFT) studies of mononuclear Fe(III)–OOH 32 and Fe(IV)=O 33,34 compounds have provided insight into their distintive chemical properties.…”

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confidence: 99%