scholarly journals Isolation of EPR spectra and estimation of spin-states in two-component mixtures of paramagnets

2018 ◽  
Vol 47 (31) ◽  
pp. 10473-10479 ◽  
Author(s):  
Sonia Chabbra ◽  
David M. Smith ◽  
Bela E. Bode
Keyword(s):  
Electron Spin ◽  
Epr Spectra ◽  
Spin States ◽  
Spin Multiplicity ◽  
System P ◽  
Two Component

The isolation of component EPR spectra and identification of electron spin multiplicity is explored in an industrially relevant precatalyst system.

scholarly journals Spin States of C603-and C120On-(n= 2, 3, 4) Anions Using Electron Spin Transient Nutation Spectroscopy

2003 ◽  
Vol 107 (41) ◽  
pp. 11353-11359 ◽  
Author(s):  
Simon C. Drew ◽  
John F. Boas ◽  
John R. Pilbrow ◽  
Peter D. W. Boyd ◽  
Parimal Paul ◽  
...  
Keyword(s):  
Electron Spin ◽  
Spin States

Electron spin resonance detection of heterogeneous reactions of Pigment Red 122

1990 ◽  
Vol 68 (4) ◽  
pp. 640-643
Author(s):  
Mary Jane Walzak ◽  
John R. Harbour
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Radical Anion ◽  
Heterogeneous Reactions ◽  
Resonance Spectroscopy ◽  
G Factor ◽  
Spin Resonance ◽  
Two Component ◽  
Induced Signal ◽  
Resonance Detection

Electron spin resonance spectroscopy (ESR) has been used to investigate the electrochemical and photolytic behaviour of particulate C.I. Pigment Red 122. Heterogeneous electrochemical reduction and oxidation of the pigment resulted in different reversible ESR signals with the radical cation giving a signal of ΔHpp = 2.3 G and g-factor of 2.0033 and the radical anion giving ΔHpp = 3.2 G and g-factor 2.0039. On exposure to light the inherent ESR signal, which was determined to be a two-component signal, increased in intensity by a factor of 2.4 but did not change in linewidth or g-factor. This light-induced signal was reversible and decayed to initial levels in the dark. The mechanism of these reactions is discussed. Keywords: ESR, pigment, electrochemistry, photo effects.

Investigation of the physical properties of entangled electron spin states in a solid

2014 ◽  
Vol 11 (5-6) ◽  
pp. 1068-1073
Author(s):  
Vladimir N. Petrov ◽  
Alexander B. Ustinov ◽  
Daria V. Petrova ◽  
Andrey A. Grib
Keyword(s):  
Physical Properties ◽  
Electron Spin ◽  
Spin States

Electron Spin-Dependent Tunneling Current through a Trapezoidal Potential Barrier under Airy Wavefunction Approach

2020 ◽  
Vol 833 ◽  
pp. 152-156
Author(s):  
Fatimah A. Noor ◽  
Ezra Nabila ◽  
Euis Sustini ◽  
Khairurrijal
Keyword(s):  
Potential Barrier ◽  
Bias Voltage ◽  
Electron Spin ◽  
Tunneling Current ◽  
Spin States ◽  
Analytical Expression ◽  
Zinc Blende ◽  
Spin Polarized

In this paper, an analytical expression of the electron spin-dependent tunneling current through a potential barrier by applying a bias voltage was investigated. An Airy wavefunction was applied to derive the transmittance through the barrier by considering a zinc-blende material, which depends on the spin states indicated as ‘up’ and ‘down’. The obtained transmittance was employed to compute the polarization and spin-dependent tunneling current. The spin-dependent tunneling current was then observed at various bias voltages and temperatures. It was shown that the spin-polarized current increases as the bias voltage increases. It was also shown that the increase of temperature enhances the spin-dependent tunneling current.

scholarly journals Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions I. A Shared-Orbital Implementation

2019 ◽  
Author(s):  
Yunwen Tao ◽  
Zheng Pei ◽  
Nicole Bellonzi ◽  
Yuezhi Mao ◽  
zhu zou ◽  
...  
Keyword(s):  
Electron Spin ◽  
Energy Surface ◽  
Geometry Optimization ◽  
Molecular Orbitals ◽  
Orbit Coupling ◽  
Spin States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Crossing Point ◽  
Adiabatic Energy

In the modeling of spin-crossing reactions, it has become popular to directly explore the spin-adiabatic surfaces. Specifically, through constructing spin-adiabatic states from a two-state Hamiltonian (with spin-orbit coupling matrix elements) at each geometry, one can readily employ advanced geometry optimization algorithms to acquire a “transition state" structure, where the spin crossing occurs. In this work, we report the implementation of a fully variational spin-adiabatic approach based on Kohn-Sham density functional theory spin states (sharing the same set of molecular orbitals) and the Breit-Pauli one-electron spin-orbit operator. For three model spin-crossing reactions [predissociation of N2O, singlet-triplet conversion in CH2, and CO association to Fe(CO)4], the spin-crossing points were easily obtained. Our results also indicated the Breit-Pauli one-electron spin-orbit coupling can vary significantly along the reaction pathway on the spin-adiabatic energy surface. On the other hand, due to the restriction that low-spin and high-spin states share the same set of molecular orbitals, the acquired spin-adiabatic energy surface shows a cusp (i.e. a first-order discontinuity) at the crossing point, which prevents the use of standard geometry optimization algorithms to pinpoint the crossing point. An extension with this restriction removed is being developed to achieve the smoothness of spin-adiabatic surfaces.

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