The SN2 Identity Exchange Reaction 37Cl- + 35ClCH2CN .fwdarw. 35Cl- + 37ClCH2CN: Kinetic Energy and Temperature Dependence

1994 ◽  
Vol 116 (5) ◽  
pp. 2213-2214 ◽  
Author(s):  
A. A. Viggiano ◽  
Robert A. Morris ◽  
Timothy Su ◽  
Brian D. Wladkowski ◽  
Stephen L. Craig ◽  
...  
Keyword(s):  
Kinetic Energy ◽  
Temperature Dependence ◽  
Exchange Reaction

13C NMR-spektroskopische Untersuchungen an Äthylaluminiumverbindungen / 13C NMR Spectroscopic Investigations of Ethylaluminium Compounds

1976 ◽  
Vol 31 (6) ◽  
pp. 730-736 ◽  
Author(s):  
R. Rottler ◽  
C. G. Kreiter ◽  
G. Fink
Keyword(s):  
Temperature Dependence ◽  
Exchange Reaction ◽  
13C Nmr ◽  
Line Shape ◽  
Nmr Spectra ◽  
Exchange Process ◽  
Kcal Mole ◽  
Line Shapes ◽  
Calculated Line ◽  
C Nmr

The 13C NMR spectra of the ethylaluminium compounds [Al(C2H5)xCl3_x]2 x = 1, 1,5, 2 and 3 are presented and factors governing the temperature dependence of the line shape are discussed. The exchange reaction of terminal ethyl groups for chlorine ligands and ethyl ligands, resp., in ethylaluminium-sesquichloride was investigated by fitting the calculated line shapes to the observed spectra.The energy of activation of this exchange process was determined as to be 12,3 ‡ 1,5 kcal/mole. The synthesis of 13C2-[Al(C2H5)Cl2]2 is described.

scholarly journals Iron and sulfur isotope factors for pyrite from experimental gamma-resonant studies and heat capacity

2019 ◽  
Vol 64 (4) ◽  
pp. 372-386
Author(s):  
V. B. Polyakov ◽  
E. G. Osadchii ◽  
M. V. Voronin ◽  
V. O. Osadchii ◽  
L. V. Sipavina ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Kinetic Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Temperature Dependence ◽  
Isotope Exchange ◽  
Resonant Scattering ◽  
Debye Model ◽  
Crystalline Lattice ◽  
Thermal Vibrations

Pyrite Moessbauer spectra (FeS2) is measured in the temperature range from 90 to 295 K. The temperature dependence of the isomer shift is described by the Debye model with Moessbauer temperature θM=551.4 K. Using these results, we calculated the kinetic energy of thermal vibrations of the iron sublattice of pyrite and the iron β-factor for pyrite: 103lnβ57Fe/54Fe=(1.2665±0.0391)x–(0.4584±0.0283) × 10-2x2+(0.2581±0.0239) × 10-4x3; x=106/T 2 (K-2) The Moessbauer-derived iron β-factor for pyrite agrees well with results of ab initio calculations, 57Fe nuclear inelastic γ-resonant scattering synchrotron experiments and direct isotope exchange experiments between pyrite and Fe2+ dissolved in water. Heat capacity of pyrite is measured at temperatures from 79 to 300 K. Its temperature dependence are described using the Thirring expansion. Based on this expansion, the kinetic energy of thermal vibrations of total crystalline lattice of pyrite is calculated. The kinetic energy of the thermal vibrations of the sulfur sublattice in pyrite is found by subtracting the iron sublattice kinetic energy from the total kinetic energy of pyrite crystalline lattice. Temperature dependence of 34S/32S β-factor for pyrite calculated from the kinetic energy of the sulfur sublattice is following: 103lnβ34Fe/32Fe=(1.7532±0.0623) x–(1.0470±0.0752) × 10-2 x2+(1.0424±0.1126) × 10-4 x3; x=106/T 2 (K-2) This 34S/32S β-factor values exhibit a good agreement with of ab initio calculations and isotope-exchange experimental results in the pyrite-sphalerite-galenite system.

Kinetic Energy Release and Energy Partitioning During the Ionic Fragmentation in Metastable Ions

1983 ◽  
Vol 38 (5) ◽  
pp. 524-527
Author(s):  
F. H. Abd El-Kader ◽  
M. S. Abd El-Fattah
Keyword(s):  
Kinetic Energy ◽  
Temperature Dependence ◽  
Kinetic Energy Release ◽  
Molecular Ions ◽  
Energy Partitioning ◽  
Unimolecular Decomposition ◽  
Centrifugal Barrier ◽  
Metastable Ions ◽  
Significant Temperature ◽  
Ionic Fragmentation

The kinetic energy released in the unimolecular decomposition of some metastable transitions has been investigated. It was found to have a significant temperature dependence in cases of H‘ loss from molecular ions. This is attributed to the tunelling of H• atom through the centrifugal barrier.The activation energies of the reverse reactions “εr≠” and the kinetic energy released “TB” have been determined for the loss of H• from acetonitrile and elimination of HCN from benzonitrile. The partitioning energy quotients q=TB/εr≠ are found = 0.91 and 0.58 for acetonitrile and benzonitrile respectively.

Temperature dependence of single-particle kinetic energy in fluid parahydrogen

1997 ◽  
Vol 234-236 ◽  
pp. 334-336
Author(s):  
C. Andreani ◽  
D. Colognesi ◽  
A. Filabozzi ◽  
M. Nardone
Keyword(s):  
Kinetic Energy ◽  
Temperature Dependence ◽  
Single Particle ◽  
Particle Kinetic Energy

Temperature dependence of the kinetic energy in the Zr40Be60 amorphous alloy

JETP Letters ◽  
2017 ◽  
Vol 105 (9) ◽  
pp. 591-594 ◽  
Author(s):  
G. F. Syrykh ◽  
A. A. Stolyarov ◽  
M. Krzystyniak ◽  
G. Romanelli ◽  
R. A. Sadykov
Keyword(s):  
Kinetic Energy ◽  
Amorphous Alloy ◽  
Temperature Dependence

Synthese, Strukturfestlegung und Dissoziationsgleichgewicht eines 15N-markierten Diazadiphosphetidins / Synthesis, Structure Determination, and Dissociation Equilibrium of a 15N-Labeled Diazadiphosphetidine

1977 ◽  
Vol 32 (9) ◽  
pp. 1030-1032 ◽  
Author(s):  
Rolf Appel ◽  
Mechthild Halstenberg ◽  
Fritz Knoll
Keyword(s):  
Nmr Spectroscopy ◽  
Temperature Dependence ◽  
Exchange Reaction ◽  
Structure Determination ◽  
Nmr Spectra ◽  
Ring Structure ◽  
Dissociation Equilibrium

The 15N-labeled diazadiphosphetidine (3a) was prepared to confirm the proposed ring structure by 1H, 31P, 13C, and 15N NMR spectroscopy. The temperature dependence of the NMR spectra suggests a dissociation equilibrium which could be verified by an exchange reaction.

Temperature dependence of molecular kinetic energy in dense fluid parahydrogen

1997 ◽  
Vol 37 (5) ◽  
pp. 329-334 ◽  
Author(s):  
C Andreani ◽  
D Colognesi ◽  
A Filabozzi ◽  
M Nardone ◽  
R. T Azuah
Keyword(s):  
Kinetic Energy ◽  
Temperature Dependence ◽  
Dense Fluid
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