Time‐of‐Flight Spectrometry

Proton Diffusivity in the Protic Ionic Liquid Triethylammonium Triflate Probed by Quasielastic Neutron Scattering

“…30 Equation 1 can also be applied for the analysis of the elastic scans. Under the condition that the harmonic approximation may be used for the Debye-Waller factor and the resolution function can be presented by a…”

Dynamics of the Coordination Complexes in a Solid-State Mg Electrolyte

“…temperature-and Q-independent for 280 K < T < 365 K and, hence, can be reliably separated from the quasielastic contribution overlapping at |E| 1.5 meV for elevated temperatures(Figure 2a). In a phenomenological approach, the boson peak in Mg(BH 4 ) 2 -diglyme 0.5 can be adequately modeled with the well-known damped harmonic oscillator (DHO) function26 (DHO frequency Ω = 4.9 meV, damping constant Γ= 11.1 meV, see Supporting Information for details), while the Q-dependence of the DHO intensity permits calculation of the mean square displacement u 2 associated with the confined vibrational modes of the [BH 4 ] − anions and diglyme (Figure 2b).Diglyme molecules are not supposed to freely rotate in the solid phase, but segmental motions and end methyl group reorientations may lead to a quasielastic contribution observed in addition to the broad inelastic broad band(Figure 1). However, these localized dynamics 6…”

“…Both S BH 4 ( Q , E ) and S digl ( Q , E ) have a low-energy (vibrational) inelastic broad band (Figure a) typical for amorphous systems and glasses and usually referred to as the “boson peak”. − In the case of Mg­(BH 4 ) 2 -diglyme 0.5 , the vibrational frequency distribution is both temperature- and Q -independent for 280 K < T < 365 K and hence can be reliably separated from the quasielastic contribution overlapping at | E | ≲ 1.5 meV for elevated temperatures (Figure a). In a phenomenological approach, the boson peak in Mg­(BH 4 ) 2 -diglyme 0.5 can be adequately modeled with the well-known damped harmonic oscillator (DHO) function (DHO frequency Ω = 4.9 meV, damping constant Γ= 11.1 meV; see the Supporting Information for details), while the Q -dependence of the DHO intensity permits calculation of the mean square displacement associated with the confined vibrational modes of the [BH 4 ] − anions and diglyme (Figure b).…”

Data Analysis for Time-Resolved QENS Experiments in Biophysics

“…Purple membrane stacks were prepared as described previously. 24 D 2 O was used to suppress the incoherent scattering from the solvent and to focus on the internal dynamics of the protein-lipid complex. In PM non-exchangeable hydrogen atoms of BR make up 75% of the total number of the protons, 25 so that the predominant part of the measured incoherent signal is due to the BR contribution.…”

“…10 Quasielastic neutron scattering (QENS) 21,22 has also delivered results on function-dynamic correlation in BR. 23,24 Being extremely sensitive to ubiquitous in biological system hydrogen atoms, QENS probes stochastic motions on the picosecond-nanosecond time scale and has an advantage of obtaining both spatial and time characteristics of the processes simultaneously.…”