Electron thermalization distances and free-ion yields in dense gaseous and liquid benzene

1992 ◽  
Vol 70 (6) ◽  
pp. 1618-1622 ◽  
Author(s):  
Norman Gee ◽  
Gordon R. Freeman
Keyword(s):  
Three Dimensional ◽  
Dielectric Constants ◽  
Zero Field ◽  
Fluid Density ◽  
Model Assumption ◽  
Liquid Benzene ◽  
Free Ion ◽  
Ion Yields ◽  
Yield Formula ◽  
Reduced Density

Electron thermalization has been studied in gaseous and liquid benzene at 4.1 ≤ d/kg m−3 ≤ 878 (temperatures 295–560 K) using measurements of the free-ion yield [Formula: see text] as a function of electric field strength E and temperature T. The measured [Formula: see text] values at each T were compared to those calculated using an extended Onsager model. Assumption of a three-dimensional Gaussian distribution of secondary electron thermalization distances YG resulted in too large a field dependence. The Gaussian with the small added tail, YGP, gave the correct dependence. Values of the yield extrapolated to zero field, [Formula: see text] and of the most probable thermalization distance bGP were obtained. Variation of the density-normalized distance bGPd with reduced density d/dc (dc = critical fluid density) was expected to be similar to that in ethene, due to the π-electrons in the two compounds. Instead, it was similar to that in ethane. Throughout the liquid range, epithermal electrons were de-energized less efficiently than in the gas at d < 0.5 dc where the benzene molecules are further apart. As the density increases above 2 dc the values of bGPd decreased as in other hydrocarbons, rather than like those in hexafluorobenzene, which increased sharply. Dielectric constants were also measured up to 560 K.

X-Radiolysis Ion Yields and Electron Ranges in Liquid Xenon, Krypton, and Argon: Effect of Electric Field Strength

1973 ◽  
Vol 51 (5) ◽  
pp. 641-649 ◽  
Author(s):  
Maurice G. Robinson ◽  
Gordon R. Freeman
Keyword(s):  
Field Strength ◽  
Gas Phase ◽  
Electric Fields ◽  
Zero Field ◽  
Energy Effect ◽  
Secondary Electrons ◽  
Total Ionization ◽  
Field Dependent ◽  
Free Ion ◽  
Ion Yields

X-Radiolysis ion yields were measured at electric fields between 1 and 60 kV/cm in argon at 87 °K, krypton at 148 °K, and xenon at 183 °K. The results were analyzed according to a theoretical model to obtain the total ion yields Gtot,the free ion yields at zero field strength Gfi0 and the most probable penetration ranges b of the secondary electrons in the liquids. The respective values were: Ar, 7.3, 2.9, 1330 Å; Kr, 13.0, 5.8, 880 Å; Xe, 13.7, 7.0, 720 Å. The total ionization yields in these substances are greater in the liquid than in the gas phase, probably due to smaller ionization potentials in the condensed phase (polarization energy effect). Field dependent electron mobilities are also reported.

Electron thermalization distance distributions and thermal electron mobilities in dense liquid isobutane

1992 ◽  
Vol 70 (2) ◽  
pp. 327-332
Author(s):  
Takehisa Yoshinari ◽  
Norman Gee ◽  
Gordon R. Freeman
Keyword(s):  
Electron Scattering ◽  
Three Dimensional ◽  
Thermal Electron ◽  
Density Region ◽  
One Dimensional ◽  
Distance Distributions ◽  
Free Ion ◽  
Ion Yields ◽  
Arrhenius Temperature ◽  
Dense Liquid

Free ion yields [Formula: see text], were measured at electric field strengths E up to 6.7 MV m−1 in liquid isobutane at 556 ≤ d/kg m−3 ≤ 739 (294.4–114.6 K). The yields decreased with decreasing temperature and increasing density up to 677 kg m−3; further increases in density led to little change in [Formula: see text]. The thermalization distance distribution F(y) was estimated by fitting the field dependence of [Formula: see text] using the extended On sager model. At lower densities F(y) = YGP (three-dimensional Gaussian body with power tail) provided an adequate fit to the results, while at higher densities F(y) = YE (one-dimensional exponential distribution) was better. Thus the electron-scattering properties of liquid isobutane change somewhat with density. The thermalizing ability of liquid isobutane increased with increasing density up to ~660 kg m−3, then decreased at densities > 690 kg m−3. By comparison, the Arrhenius temperature coefficient of mobility of thermal electrons changed in the same density region: Eμ ≈ 7 kJ mol−1 at d < 660 kg m−3, and ≈ 16 kJ mol−1 at d > 690 kg m−3. Keywords: isobutane, electron thermalization distance, free ion yield, liquid, electron mobility, radiolysis.

scholarly journals Crystal Structure and Computational Study on Methyl-3-Aminothiophene-2-Carboxylate

Crystals ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 19 ◽  
Author(s):  
Yaping Tao ◽  
Ligang Han ◽  
Andong Sun ◽  
Kexi Sun ◽  
Qian Zhang ◽  
...  
Keyword(s):  
Crystal Packing ◽  
Computational Study ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Dispersion Energy ◽  
Monoclinic Crystal ◽  
Hydrogen Bond Interactions ◽  
Calculation Results ◽  
Reduced Density Gradient ◽  
Reduced Density

Methyl-3-aminothiophene-2-carboxylate (matc) is a key intermediate in organic synthesis, medicine, dyes, and pesticides. Single crystal X-ray diffraction analysis reveals that matc crystallizes in the monoclinic crystal system P21/c space group. Three matc molecules in the symmetric unit are crystallographically different and further linked through the N–H⋯O and N–H⋯N hydrogen bond interactions along with weak C–H⋯S and C–H⋯Cg interactions, which is verified by the three-dimensional Hirshfeld surface, two-dimensional fingerprint plot, and reduced density gradient (RDG) analysis. The interaction energies within crystal packing are visualized through dispersion, electrostatic, and total energies using three-dimensional energy-framework analyses. The dispersion energy dominates in crystal packing. To better understand the properties of matc, electrostatic potential (ESP) and frontier molecular orbitals (FMO) were also calculated and discussed. Experimental and calculation results suggested that amino and carboxyl groups can participate in various inter- and intra-interactions.

Low energy electron ranges in liquids: determination by nonhomogeneous kinetics

1977 ◽  
Vol 55 (11) ◽  
pp. 2050-2062 ◽  
Author(s):  
J.-P. Dodelet
Keyword(s):  
Critical Temperature ◽  
Melting Point ◽  
Distribution Functions ◽  
Liquid Density ◽  
Range Distribution ◽  
Total Ionization ◽  
Free Ion ◽  
Drastic Increase ◽  
Pass Through ◽  
Ion Yields

Free ion yields have been measured in four hydrocarbon liquids: n-pentane, cyclopentane, neopentane, and neohexane. Each liquid has been studied from room temperature or below up to the critical temperature. Theoretical curves have been calculated using the relation between the free ion yields and the external field strength derived by Terlecki and Fiutak on the basis of an equation by Onsager. Two popular electron range distribution functions, Gaussian and exponential, have been shown not to be an adequate representation of the reality as far as the model used for the calculations is concerned. In order to fit experimental points, both range distribution functions would require a drastic increase in the total ionization yield, Gtot, with temperature increase. This would mean an unrealistic decrease of the ionization potential of the molecule from the melting point up to the critical temperature.It is possible to keep Gtot quite constant and within the range of values obtained by other techniques by extending the Gaussian range distribution function with a (range)−3 probability tail. The most probable range can be normalized for the liquid density. This parameter has been used to obtain information about the behaviour of epithermal electrons in the four alkane liquids from the melting point up to the critical temperature.(1) Normalized penetration ranges of epithermal electrons are dependent on the structure of the molecule in the entire liquid range but differences are smaller at critical than at low temperatures.(2) Normalized penetration ranges of epithermal electrons pass through a maximum in the liquid phase for neopentane, neohexane, and cyclopentane. No maximum is observed for n-pentane.(3) There is no drastic change in the behaviour of epithermal electrons in these alkanes at the critical temperature.

scholarly journals The Ion Pair Thermal Model of MALDI MS

2021 ◽  
Author(s):  
Shiyue Fang
Keyword(s):  
Gas Phase ◽  
Thermal Model ◽  
Ion Pair ◽  
Pair Formation ◽  
Maldi Ms ◽  
Ion Extraction ◽  
Free Ion ◽  
Pair Separation ◽  
Ion Yields ◽  
Ion Pair Separation

The ion pair thermal model for MALDI MS is described. Key elements of the model include thermal desorption and ionization, strong tendency to neutralization via ion pair formation and proton transfer in the gas phase, thermal equilibrium, overall charge neutral plume, and thermal energy assisted free ion generation via ion pair separation by ion extraction potential. The quantities of ions in the solid sample and in the gaseous plume are estimated. Ion yields of different classes of molecules including peptides, nucleic acids, permanent salts and neutral molecules are estimated at the macroscale and single ion pair levels. The estimated ion yields are close to experimentally observed values under certain assumptions. Explanations of several observations in MALDI MS such as mostly single-charged peaks, improvement of spectra by ammonium cation, and ion suppression are provided. We expect that the model can give insights for the design of new conditions and systems for improving the sensitivity and resolution of MALDI MS and improving its capability and reliability to analyze large biomolecules.

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