The measurement of electron exchange rate constants using N.M.R.: The<i>p</i>-benzoquinone and duroquinone parent molecule-radical anion electron exchange rate constants in solution

Williams, William G.

doi:10.1080/00268976900100071

Cited by 26 publications

(5 citation statements)

References 14 publications

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“…The hydrocarbons H are assumed to have ideal geometry with all bond lengths equal to R 0 = 1.40 Å and regular benzene rings. The intermolecular distances between the planes of two neighboring monoradicals in different MRCs varies in the range between 3.1 Å in infinite stacks of Wurster's radicals up to 3.71 Å in the case of galvinoxyl stacks . In the case of radical ion crystals, the intermolecular distance between the planes of two neighboring hydrocarbons is ∼3.3 Å (see also the results in ref ).…”

Section: Objectivesmentioning

confidence: 80%

Nature of the Magnetic Interaction in Organic Radical Crystals. 5. Magnetic Interaction in Mixed Radical Ion Crystals

et al. 2001

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The nature and magnitude of the spin exchange interaction within the half-filled band of 1-D stacks of mixed radical ion crystals (MRIC) consisting of two hydrocarbons H 1 and H 2 with different ionization potentials and electron affinities have been investigated theoretically. In a fully reduced or oxidized 1-D crystal, each elementary unit is an anion radical or a cation radical: (H 1 ...H 2 ) •---or --(H 1 ...H 2 ) •+ --. In contrast to organic radical cation (anion) crystals which consist of identical polycyclic hydrocarbons -(H δ ‚‚‚H δ ) •+or -(H δ ‚‚‚H δ ) •-with a metalic or semiconducting ground state, the ground state of some classes of MRICs is a magnetic one. The band theory of magnetic interaction in many electron π-systems is applied to calculate the different contributions of the effective Heisenberg exchange integral.

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Section: Objectivesmentioning

confidence: 80%

Nature of the Magnetic Interaction in Organic Radical Crystals. 5. Magnetic Interaction in Mixed Radical Ion Crystals

et al. 2001

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“…The homonuclear radicals and the PAHs Per and Cor are assumed to have ideal geometry, with all bond lengths, R 0 , equal to 1.40 Å and regular benzene rings. The intermolecular distances between the planes of two neighboring monoradicals in different pure MRCs vary in the range between 3.1 Å in infinite stacks of Wurster's radicals 26 up to 3.71 Å in the galvinoxyl stacks . The quantitative results obtained with various values of the interplanar distance R , 3.1 Å < R < 3.4 Å, show that, qualitatively, the character of the exchange interaction does not depend on the value of R .…”

Section: Objects Of Investigationsmentioning

confidence: 90%

Nature of the Magnetic Interaction in Organic Radical Crystals. 4. Magnetic Interaction in Mixed Molecular Radical Crystals

et al. 2000

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The nature of the spin exchange interaction within the half-filled band of one-dimensional stacks of 1-D mixed molecular radical crystals (MMRC) with the general formula: ······PAH····R • ·····PAH····R • ·····PAH····R • ·····PAH····R • ·····(R • , radical; PAH, diamagnetic polycyclic aromatic hydrocarbon) was investigated theoretically. The various contributions to the Heisenberg effective exchange integral, the direct (Coulomb), kinetic, and indirect spin exchange for the MMRCs, are evaluated quantitatively, using band theory, and are compared with those of the corresponding parent molecular radical crystals (MRC, without hydrocarbons). The nature and the magnitude of the exchange interaction in MMRCs are significantly different in comparison with the parent MRCs: the ferromagnetic interaction in MRC changes into antiferromagnetic in MMRCs and vice versa.

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“…The intermolecular distances between the planes of two neighboring monoradicals in different pure MRCs vary in the range between 3.1 Å in infinite stacks of Wurster ' s radicals 44 up to 3.71 Å in the galvinoxyl stacks . The calculations have been carried out with different values of the distance R between the planes of neighboring monomers.…”

Section: Point Tamm Defects In Pahmentioning

confidence: 99%

Energy Spectra and Electric and Magnetic Properties of 1D Stacks of Conjugated π-Electron Systems with Defect Surface States. I. π Systems with Tamm Surface States

et al. 2008

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The energy spectra and the electric and magnetic properties of one-dimensional (1D) stacks consisting of conjugated π-electron systems (polycyclic aromatic hydrocarbons and polymethines) with Tamm defects are investigated theoretically by means of the many-electron band theory. The conditions for the relative arrangement of the stacks in terms of the slip parameters for yielding different magnetic and electric ground-state properties are studied.

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The measurement of electron exchange rate constants using N.M.R.: Thep-benzoquinone and duroquinone parent molecule-radical anion electron exchange rate constants in solution

Cited by 26 publications

References 14 publications

Nature of the Magnetic Interaction in Organic Radical Crystals. 5. Magnetic Interaction in Mixed Radical Ion Crystals

Nature of the Magnetic Interaction in Organic Radical Crystals. 5. Magnetic Interaction in Mixed Radical Ion Crystals

Nature of the Magnetic Interaction in Organic Radical Crystals. 4. Magnetic Interaction in Mixed Molecular Radical Crystals

Energy Spectra and Electric and Magnetic Properties of 1D Stacks of Conjugated π-Electron Systems with Defect Surface States. I. π Systems with Tamm Surface States

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