scholarly journals The Dynamical Behavior of the s-Trioxane Radical Cation—A Low-Temperature EPR and Theoretical Study

Molecules ◽  
2014 ◽  
Vol 19 (11) ◽  
pp. 17305-17313
Author(s):  
Sergej Naumov ◽  
Wolfgang Knolle ◽  
Sergej Naumov ◽  
Andreas Pöppl ◽  
Igor Janovský
Keyword(s):  
Low Temperature ◽  
Radical Cation ◽  
Theoretical Study ◽  
Dynamical Behavior

Structure of tetramethylsilane radical cation: an ESR and theoretical study

1991 ◽  
Vol 95 (8) ◽  
pp. 3132-3135 ◽  
Author(s):  
L. Bonazzola ◽  
J. P. Michaut ◽  
J. Roncin
Keyword(s):  
Radical Cation ◽  
Theoretical Study

An experimental and theoretical study of ionized hydroxyacetone: a stable, hydrogen-bridged radical cation

1993 ◽  
Vol 115 (26) ◽  
pp. 12431-12440 ◽  
Author(s):  
Jaana M. H. Pakarinen ◽  
Pirjo Vainiotalo ◽  
Tapani A. Pakkanen ◽  
Hilkka I. Kenttamaa
Keyword(s):  
Radical Cation ◽  
Theoretical Study

Theoretical study of reactions of HO2 in low-temperature oxidation of benzene

2010 ◽  
Vol 157 (7) ◽  
pp. 1325-1330 ◽  
Author(s):  
Mohammednoor Altarawneh ◽  
Bogdan Z. Dlugogorski ◽  
Eric M. Kennedy ◽  
John C. Mackie
Keyword(s):  
Low Temperature ◽  
Theoretical Study ◽  
Low Temperature Oxidation ◽  
Temperature Oxidation ◽  
Oxidation Of Benzene

scholarly journals EPR Spectroscopy Study of the Radical Cation Cluster (η⁵-C₅H₅)(CO)₅ReFePt(μ₃-C=CHPh)(η²-Ph₂P(CH₂)₂PPh₂)

2019 ◽  
pp. 573-579
Author(s):  
Nikolay G. Maksimov ◽  
Victor V. Verpekin ◽  
Dmitry V. Zimonin ◽  
Galina V. Burmakina ◽  
Oleg S. Chudin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Radical Cation ◽  
Unpaired Electron ◽  
Iron Atom ◽  
Epr Spectroscopy ◽  
Binuclear Complex ◽  
Chemical Oxidation ◽  
Spectroscopy Study ◽  
Model Spectrum

The chemical oxidation of the cluster CpReFePt(μ3-C=CHPh)(CO)5(dppe) (Cp = η5-C5H5, dppe = η2- Ph2P(CH2)2PPh2) resulted in a radical cation [CpReFePt(μ3-C=CHPh)(CO)5(dppe)]+• that is sufficiently stable only at low temperature. An electronic structure of the radical cation was studied by EPR and following parameters were obtained by comparison of the experimental and model spectrum: gx = 2.070 gy = 2.0295 gz = 1.997; Ax(31P) = 17 Ay(31P) = 49 Az(31P) = 35 (Gs);Ax(195Pt) = 62 Ay(195Pt) = 45 Az(195Pt) = 105 (Gs). An unpaired electron is seen to be mainly concentrated on the iron atom (85-90%) and partially on the platinum atom (10-15%). Further transformation of the radical cation led to the formation of the binuclear complex Cp(CO)2RePt(μ-C=CHPh)(dppe) and the Fe-carbonyl fragment

scholarly journals Mobility Enhancement in Square Quantum Wells: Symmetric Modulation of the Envelop Wave Function

2010 ◽  
Vol 20 (3) ◽  
pp. 193
Author(s):  
Doan Nhat Quang ◽  
Nguyen Huyen Tung ◽  
Nguyen Trung Hong ◽  
Tran Thi Hai
Keyword(s):  
Experimental Data ◽  
Wave Function ◽  
Low Temperature ◽  
Quantum Wells ◽  
Quantum Transport ◽  
Variational Approach ◽  
Theoretical Study ◽  
Recent Experimental Data ◽  
Carrier Distribution ◽  
Analytic Expressions

We present a theoretical study of the effects from symmetric modulation of the envelop wave function on quantum transport in square quantum wells (QWs). Within the variational approach we obtain analytic expressions for the carrier distribution and their scattering in symmetric two-side doped square QWs. Roughness-induced scattering are found significantly weaker than those in the asymmetric one-side doped counterpart. Thus, we propose symmetric modulation of the wave function as an efficient method for enhancement of the roughness-limited QW mobility. Our theory is able to well reproduce the recent experimental data about low-temperature transport of electrons and holes in two-side doped square QWs, e.g., the mobility dependence on the channel width, which have not been explained so far.

Theoretical study of reactions of the 1-butene radical cation in frozen halocarbon matrixes

1993 ◽  
Vol 97 (49) ◽  
pp. 12742-12744 ◽  
Author(s):  
J. Raul Alvarez-Idaboy ◽  
Leif A. Eriksson ◽  
Sten Lunell
Keyword(s):  
Radical Cation ◽  
Theoretical Study

Low temperature FTIR, Raman, NMR spectroscopic and theoretical study of hydroxyethylammonium picrate

2016 ◽  
Vol 1104 ◽  
pp. 40-51 ◽  
Author(s):  
N. Sudharsana ◽  
A. Sharma ◽  
N. Kuş ◽  
R. Fausto ◽  
M. Luísa Ramos ◽  
...  
Keyword(s):  
Low Temperature ◽  
Theoretical Study
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