Spin Exchange Components in Nitroxyl Biradicals EPR Spectra

Dobryakov, S. N.

doi:10.1007/978-3-642-48724-8_8

Cited by 6 publications

(4 citation statements)

References 1 publication

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“…(5) describes a complete chain of rate equations, the transition rate ν mn between the states ψ m and ψ n being a function of the imaginary quantities iH mn and -iH mn [8]. Note that the Hamilto-…”

Section: With This Basis the Quantum Liouville Equation Becomesmentioning

confidence: 99%

“…With negative coefficients, emission-line solutions are possible. A relaxation coefficient with subscripts m and n has been interpreted as the rate of transitions between the states ψ m and ψ n caused by the interaction of the system with its surroundings [8][9][10]. A computer simulation of ESR spectra revealed that assigning distinct values to and with given m and n results in an asymmetrical spectrum.…”

Section: With This Basis the Quantum Liouville Equation Becomesmentioning

confidence: 99%

“…Dobryakov et al [8][9][10] proposed a matrix equation that is equivalent to the quantum Liouville equation but allows one to simulate the ESR spectra of two-spin systems without using perturbation expansions; those studies addressed the structure of the spin Hamiltonian and the dependence of the shape of ESR spectra on scalar ( J ) and vector ( G ) exchange interactions and on dipole ( D , E ) interaction.…”

Section: Mathematical Modelmentioning

confidence: 99%

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ESR spectra of the triplet and singlet states of a Zn-P two-spin system in Si: Mathematical modeling and computer simulation

Dobryakov

Privezentsev

2005

Russ Microelectron

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A computer simulation of the ESR spectra of a Zn-P two-spin system in Si is carried out, involving solving the quantum Liouville equation supplemented with a semiempirical relaxation operator (represented by a tensor of order 4). The mathematical model employed enables one to compute ESR spectra for continuousabsorption conditions as the paramagnetic-center density is increased. Two conclusions are drawn from a comparison of the simulated spectra and previously measured ones: (i) For a model of ESR spectra to be accurate it must include both the dipole-dipole interaction between the magnetic moments and isotropic and anisotropic (vector) exchange interactions. (ii) The interaction constants are comparable with one another and so cannot be neglected. The cases are covered of a triplet and a singlet state of the ion pair, the parameter values being the same; in the latter case, the system includes a spin-0 and a spin-1/2 nucleus with two valence electrons interacting by the dipole and exchange mechanisms. Satellite lines resulting from the interactions are observed in the simulated spectrum for an extremely small natural line width.

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Section: With This Basis the Quantum Liouville Equation Becomesmentioning

confidence: 99%

Section: With This Basis the Quantum Liouville Equation Becomesmentioning

confidence: 99%

Section: Mathematical Modelmentioning

confidence: 99%

See 1 more Smart Citation

ESR spectra of the triplet and singlet states of a Zn-P two-spin system in Si: Mathematical modeling and computer simulation

Dobryakov

Privezentsev

2005

Russ Microelectron

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“…In the equation (2) lapping functions p mn are causal result of stochastic interaction of two-spin system with surrounding paramagnetic environment. These functions p mn are defined by environment spin centers concentration at conditions [2]:…”

mentioning

confidence: 99%

Parametrs of Semiempirical Relaxation Operator in Computer Simulation of Two‐Spin Magnetic Resonance Spectra

Dobryakov

Privezentsev

2008

Proc Appl Math and Mech

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Theoretical computer MR spectra have obtained from the decision of 16 differential equations system for time scan mode or from the decision of the 16 algebraic equations for a continuous absorption mode. In the matrix form this system has corresponded the quantum Liouville equation with the semiempirical relaxation operator [1]:where M mn = ψ m |M |ψ n are the required matrix elements of the transition operator from a spin state m in a spin state n; here ψ m , ψ n = αα, αβ, βα, ββ are the a basic spin-functions (n, m = 1, 2, 3, 4). These spin-functions are the product of eigenfunction (α, β) of a unperturbed Zeeman mode of spin Hamiltonianand H mn is an essence matrix elements of spin Hamiltonian. In equation (1) value R mjkn is [2]essence a relaxation operator elements. Here ν mn are the empirical relaxation frequencies of spin transitions between Zeeman m and n-states and p mn are the empirical lapping function. At reduction of local concentration of the surrounding paramagnetic centers they infinitely decrease ν mn → 0. Value R 0 mn corresponds to intrinsic linewidth of spin transitions. In the equation (2) lapping functions p mn are causal result of stochastic interaction of two-spin system with surrounding paramagnetic environment. These functions p mn are defined by environment spin centers concentration at conditions [2]:As an example we shall consider the two-spin orthogonality integral, which can be written down in the parametrical form through one-electron spin Zeeman functions:where p is the parameter, describing interaction of the first spin of the two-spin system with surrounding active spin environment, and p is the parameter of the same interaction of the second spin of the same system with the spin environment. Thus, if interaction occurs in a vicinity of the first spin, that due to stochastic interaction between the first spin and the surrounding spin environment the function orthogonality basic collapses. In absence of interaction of the second spin of twospin system with an environment the orthogonality integral is kept. If in interaction takes part also the second spin of two-spin system, that for it the independent orthogonality table is made. Therefore, the orthogonality integral table can be written down through one-electron spin-functions in a following kind: α

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Magnetism and electronic structure of binuclear manganese complexes in ortho-quinone ligand and polymer environments

Рахимов

Arrington

Hwang

et al. 2006

Journal of Applied Physics

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By means of mechanochemical synthesis we obtained a coordination polymer containing binuclear manganese complexes with organic catechol∕ortho-quinone ligands. The reaction system contained polystyrene, manganese acetylacetonate, and donor-acceptor mixture catechol∕ortho-quinone. Electron paramagnetic resonance (EPR) and infrared spectroscopic data show that the binuclear manganese complex is covalently linked to the chain of polystyrene. Theoretical EPR spectrum analysis revealed a triplet state of the complex with two nonequivalent manganese ions coupled to each other by spin exchange. The type of magnetic coupling between manganese ions in this system is similar to the one in manganese based inorganic magnetic materials.

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Spin Exchange Components in Nitroxyl Biradicals EPR Spectra

Cited by 6 publications

References 1 publication

ESR spectra of the triplet and singlet states of a Zn-P two-spin system in Si: Mathematical modeling and computer simulation

ESR spectra of the triplet and singlet states of a Zn-P two-spin system in Si: Mathematical modeling and computer simulation

Parametrs of Semiempirical Relaxation Operator in Computer Simulation of Two‐Spin Magnetic Resonance Spectra

Magnetism and electronic structure of binuclear manganese complexes in ortho-quinone ligand and polymer environments

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