Theoretical investigation of the temperature dependence of the O+O2 exchange reaction

2003 ◽  
Vol 118 (2) ◽  
pp. 610-621 ◽  
Author(s):  
Paul Fleurat-Lessard ◽  
Sergy Yu. Grebenshchikov ◽  
Rüdiger Siebert ◽  
Reinhard Schinke ◽  
Nadine Halberstadt
Keyword(s):  
Temperature Dependence ◽  
Exchange Reaction ◽  
Theoretical Investigation

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.

Theoretical investigation of the mechanism, kinetics and subsequent degradation products of the NO3 radical initiated oxidation of 4-hydroxy-3-hexanone

2019 ◽  
Vol 21 (12) ◽  
pp. 2080-2092
Author(s):  
Ning Zhang ◽  
Fengyang Bai ◽  
Xiumei Pan
Keyword(s):  
Temperature Dependence ◽  
Theoretical Investigation ◽  
Degradation Products ◽  
No3 Radical ◽  
Subsequent Degradation

We reported the H-abstraction reactions of 4-hydroxy-3-hexanone with NO3 with respect to thermodynamics, kinetics, temperature dependence and the subsequent mechanism.

A theoretical investigation of the temperature dependence of the magnetic moment at the 6 A 1 - 2 T 2 crossover of iron (III) complexes

1967 ◽  
Vol 296 (1447) ◽  
pp. 457-468 ◽  
Keyword(s):  
Temperature Dependence ◽  
Excited States ◽  
Theoretical Investigation ◽  
Magnetic Moment ◽  
Reasonable Agreement ◽  
Ligand Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Crossover Point ◽  
Martin Ross

In this paper we derive an expression for the temperature dependence of the magnetic moment of octahedral d 5 complexes which have ligand field strengths in the neighbourhood of the 2 T 2 - 6 A 1 crossover point. The expression includes the effects of configurational mixing and of spin-orbit coupling of the low lying 4 T 1 state with the ground and first excited states. In this case the corrections are at most some 10% of the unperturbed result. Calculated results for Fe 3+ are shown to be in reasonable agreement with experimental results for the iron (III) NN -dialkyldithiocarbamates (Ewald, Martin, Ross & White 1964).

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

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.

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