Microwave Zeeman Effect of Free Hydroxyl Radicals

Radford, H. E.

doi:10.1103/physrev.122.114

Cited by 174 publications

(38 citation statements)

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“…Therefore, the results for a ͑0͒ and a ͑1͒ z presented here may be somewhat overestimated. Indeed, the calculated a ͑0͒ ͑ 1 H͒ is about twice the experimental value of 222.7 G reported by Toriyama and Iwasaki [27] and about 1.6 times the value ͑226.7 G͒ reported by Radford [28]. However, the ratio ͑a ͑1͒ ͞a ͑0͒ ͒, which describes the Bloembergen shift in the isotropic hyperfine splitting, should be reasonably accurate.…”

Section: Now We Can Write Eqs (3) and (4) In A Matrix Form Assupporting

confidence: 50%

Theory of Electric-Field Effects on Electron-Spin-Resonance Hyperfine Couplings

Karna

1997

Phys. Rev. Lett.

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A quantum mechanical theory of the effects of a uniform electric field on electron-spin-resonance hyperfine couplings is presented. The electric-field effects are described in terms of perturbation coefficients which can be used to probe the local symmetry as well as the strength of the electric field at paramagnetic sites in a solid. Results are presented for the first-order perturbation coefficients describing the Bloembergen effect (linear electric-field effect on hyperfine coupling tensor) for the O atom and the OH radical. [S0031-9007(97)03633-8] PACS numbers: 31.30.Gs, 31.15.Md, 32.10.Fn, 33.15.Kr In 1961 Bloembergen [1] predicted that a paramagnetic site lacking inversion symmetry will experience linear shift in its electron spin resonance (ESR) spectrum by a uniform external electric field. Using secondorder perturbation theory, Bloembergen [2] also showed that the magnetic hyperfine interactions, either isotropic or anisotropic, can be linear functions of the applied external field. Bloembergen's predictions were soon verified through independent experiments by Kushida and Saiki [3], by Ludwig and Woodbury [4], and by Pershan and Bloembergen [5]. Since these early experiments, the Bloembergen effect or the linear-electric-field effect (LEFE) on hyperfine interaction has been observed in a number of crystalline materials [6,7]. The Bloembergen effect provides detailed information on local symmetry [6] and can be also used to determine the strength of electric field at paramagnetic centers in solids.While attention to date has been focused on the LEFE, there are also reports in the literature of nonlinear electric field effects (NLEFE) on the hyperfine coupling (HFC) of paramagnetic systems [8,9]. The NLEFE are considered to be especially important for issues related to the atomic clock [10].Theoretical treatments of the electric field effects on the ESR HFC have been limited to phenomenological description [2,11,12] or ad hoc quantum mechanical approximations [13]. In view of the importance and broad range of applications of the electric field effects on ESR hyperfine interaction, we present in this Letter a general quantum mechanical theory of the effects of a uniform electric field on HFC within the framework of the coupled perturbation approach [14]. By treating the external electric field as a perturbation, analytical expressions are derived to calculate the corrections to HFC in terms of the matrix elements of the hyperfine interaction operator ͑S ? I͒ and electricfield-perturbed spin density matrix ͓͑r͑E͔͒. The spin density matrix formulation allows a self-consistent determination of the perturbation coefficients from the ground state wave function. Test results from ab initio calculations are presented for the first-order coefficients describing the Bloembergen effect for the O atom and the OH radical.The Hamiltonian operator describing the hyperfine interaction between the magnetic moments associated with the electron spin S and nuclear spin I in a system containing N magnetic nuclei is given b...

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Section: Now We Can Write Eqs (3) and (4) In A Matrix Form Assupporting

confidence: 50%

Theory of Electric-Field Effects on Electron-Spin-Resonance Hyperfine Couplings

Karna

1997

Phys. Rev. Lett.

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“…Since the spin-orbit coupling is intermediate between Hund's cases (a) and (b), the wave function associated with a given (J, K ) level is represented by a linear combination of wave functions J,K ,M corresponding to K = 1/2 and K = 3/2 in the pure Hund's case (a) (24). The rotational part of this wave function can be written as…”

Section: Oh Radical Featuresmentioning

confidence: 99%

Pressure Broadening and Temperature Dependence of Microwave and Far Infrared Rotational Lines in OH Perturbed by N2, O2, and Ar

Benec'h

Buldyreva

Chrysos

2001

Journal of Molecular Spectroscopy

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“…This particular adsorption-desorption method takes advantage of the specific magnetic properties of gaseous NO molecules (10) that have been extensively studied by EPR (11)(12)(13) and microwave absorption (14,15) techniques in the past. It seems worth noting that NO molecules are physically similar to OH radicals (16,17) in terms of their molecular states but are chemically much more stable. Therefore, free NO is easily accessible by EPR spectroscopy.…”

Section: Introductionmentioning

confidence: 99%