The electron spin resonance spectra of CH(SO3)2=and N(SO3)2=

Horsfield, Andrew P.; Morton, J. R.; Rowlands, J. R.; Whiffen, D. H.

doi:10.1080/00268976200100261

Cited by 47 publications

(12 citation statements)

References 17 publications

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“…Although the elements of the several proton A-tensors could not be determined the principal g-values (Table 1) are those of a typical carboncentered n-radical. It should be noted that the proximity of the sulfur in an -SO3-group, attached to the carbon in question would not be expected to be reflected in the g-tensor values since in the radical CH(S03-), the principal values are 2.0033, 2.0025, and 2.0019 (9).…”

Section: Resultsmentioning

confidence: 99%

Electron Spin Resonance of γ-Irradiated Taurine

Lind¹,

Kewley²

1972

Can. J. Chem.

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The 9.5 GHz electron spin resonance (e.s.r.) spectra of single crystal and powder samples of y-irradiated A taurine, H,NCH,CH,SO,-, have been recorded. Overlapping spectra from three distinct radicals are present. The first of these is the species SO,-with an isotropic g-value of 2.0035 and a 33S hyperfine coupling tensor with principal values 135.2, 99.2, and 97.9 G. The second radical is a n-electron species with the unpaired electron mainly on carbon and exhibiting hyperfine interaction from at least four protons, probably +

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Section: Resultsmentioning

confidence: 99%

Electron Spin Resonance of γ-Irradiated Taurine

Lind¹,

Kewley²

1972

Can. J. Chem.

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“…The negative sign of the isotropic hfs is inferred on this basis. The isotropic splitting from a unit 2s density for 14N has been estimated [62], and the corresponding value for ' 5 N may be deduced with the ratio of their respective nuclear moments. The experimental isotropic component corresponds to p2 = 0.026.…”

Section: Ligand Nitrogen Endormentioning

confidence: 99%

Probing the surrounding of a cobalt(II) porphyrin and its superoxo complex by EPR techniques

2001

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Octaethylporphyrinato-cobalt(II), Co(II)OEP, was studied by electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) in frozen solutions of methanol, tetrahydrofuran and pyridine diluted into chloroform. Oxygenation led to the respective paramagnetic superoxo complexes Co(III)OEP • py • O. The EPR spectra demonstrate strong differences in the axial ligation states ((base-on)/(base-off)) and ease of the oxygenation process. Additional ENDOR studies with partial orientation selection along the principal g tensor axes are performed for resolution of the 'H, 4115N and 59 Co hyperfine coupling constants. This allows a comparison of the electron spin density distribution of the superoxo complex and its precursor. The data are interpreted in the framework of a more rigorous and detailed theoretical configuration interaction model than previously presented in the literature. The theoretical treatment shows that the structure of the superoxo complex is best described in a three-orbital model with contributions from the cobalt 3d, 4s, and oxygen it orbitals. The analysis reproduces the experimental g and Co hyperfine data yielding the relative energies of the MO's and the MO coefficients for the description of the spin density distribution in the Co(II) complex and its superoxo complex. To demonstrate the generality of the approach and possible applications, a comparison is made with the vitamin B, 2 , system. Furthermore, it provides detailed insight into the electronic and geometric changes resulting from axial ligation and oxygenation of the Co(II)OEP complex; this information can be used for predictions of the catalytic activity.

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“…The aaso a-lines can be seen, as well as the 13CH(SO3-)2 lines discussed in the following paper [9]. To first order the azSO 3-line should lie at the centre of the four equally spaced lines of aaSOa-.…”

Section: Optical Measurementsmentioning

confidence: 98%

“…The results are summarized in table 1. The electron resonance measurements showed that more than one radical is produced in each case, some of which have been identified [9,10]. The spectra all had one feature in common, a line with a nearly isotropicg-factor of 2.004 which was assumed to be due to azSO3-.…”

Section: Optical Measurementsmentioning

confidence: 99%

The optical and electron resonance spectra of SO₃^-

et al. 1962

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The ionic radical SO3-has been identified in T-irradiated single crystals of sodium dithionate, sulphamic acid, potassium sulphamate, potassium amine disulphonate and potassium methane disulphonate. The electron resonance spectrum is a single line with an isotropic g factor of 2"004. The principal values of the ~3S hyperfine coupling tensor are 428, 314 and 316 Mc/s, from which the percentages of 3s and 3p character of the unpaired electron orbital are obtained, enabling a value of 111 ~ for the O-S-O angle to be deduced. Ultra-violet transitions at 2700 A and 2400 ~, were found for SO3-. A value of 104 for the extinction coefficient of the 2400 ~ band was measured. A comparison of spin populations between the isoelectronic species PO3 =, SOaand CIO3 is included.

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The electron spin resonance spectra of CH(SO₃)₂⁼and N(SO₃)₂⁼

Cited by 47 publications

References 17 publications

Electron Spin Resonance of γ-Irradiated Taurine

Electron Spin Resonance of γ-Irradiated Taurine

Probing the surrounding of a cobalt(II) porphyrin and its superoxo complex by EPR techniques

The optical and electron resonance spectra of SO₃^-

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The electron spin resonance spectra of CH(SO3)2=and N(SO3)2=

Cited by 47 publications

References 17 publications

Electron Spin Resonance of γ-Irradiated Taurine

Electron Spin Resonance of γ-Irradiated Taurine

Probing the surrounding of a cobalt(II) porphyrin and its superoxo complex by EPR techniques

The optical and electron resonance spectra of SO3-

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The electron spin resonance spectra of CH(SO₃)₂⁼and N(SO₃)₂⁼

The optical and electron resonance spectra of SO₃^-