ELDOR-detected NMR beyond hyperfine couplings: a case study with Cu(<scp>ii</scp>)-porphyrin dimers

Wili, Nino; Richert, Sabine; Limburg, Bart; Clarke, Simon J.; Anderson, Harry L.; Timmel, Christiane R.; Jeschke, Gunnar

doi:10.1039/c9cp01760g

Cited by 27 publications

(43 citation statements)

References 55 publications

(76 reference statements)

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“…The most interesting signals are those observed at ν = ±47.5 and ±95 MHz. Given the theoretical calculations [58,59] for various electron-electron transitions as well as the known values of hyperfine structure A from EPR measurements (Figure 1a), it follows that these transitions are caused by the anisotropic hyperfine interaction from nitrogen nuclei. Due to the fact that the value of A exceeds the Larmor frequency of 14 A more detailed analysis of the spectrum at ∆ν > 0 (MI = −1) shows an additional splitting for the single-quantum transition exactly localized at the value A⊥/2 (Figure 4).…”

Section: Ednmr Spectroscopy Analysismentioning

confidence: 80%

Radiation-Induced Stable Radicals in Calcium Phosphates: Results of Multifrequency EPR, EDNMR, ESEEM, and ENDOR Studies

et al. 2021

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This article presents the results of a study of radiation-induced defects in various synthetic calcium phosphate (CP) powder materials (hydroxyapatite—HA and octacalcium phosphate—OCP) by electron paramagnetic resonance (EPR) spectroscopy at the X, Q, and W-bands (9, 34, 95 GHz for the microwave frequencies, respectively). Currently, CP materials are widely used in orthopedics and dentistry owing to their high biocompatibility and physico-chemical similarity with human hard tissue. It is shown that in addition to the classical EPR techniques, other experimental approaches such as ELDOR-detected NMR (EDNMR), electron spin echo envelope modulation (ESEEM), and electron-nuclear double resonance (ENDOR) can be used to analyze the electron–nuclear interactions of CP powders. We demonstrated that the value and angular dependence of the quadrupole interaction for 14N nuclei of a nitrate radical can be determined by the EDNMR method at room temperature. The ESEEM technique has allowed for a rapid analysis of the nuclear environment and estimation of the structural positions of radiation-induced centers in various crystal matrices. ENDOR spectra can provide information about the distribution of the nitrate radicals in the OCP structure.

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Section: Ednmr Spectroscopy Analysismentioning

confidence: 80%

Radiation-Induced Stable Radicals in Calcium Phosphates: Results of Multifrequency EPR, EDNMR, ESEEM, and ENDOR Studies

et al. 2021

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“… 64 The V O group is readily accessible in these flat molecules, 65 with the potential to perform single spin EPR by using a Scanning Probe Microscopy, as recently reported for a phthalocyanine complex. 66 Equally relevant is the possibility to couple more porphyrin rings to induce interactions between the coordinated metal ions, 67 as required for the implementation of quantum gates. Last but not least, chemical functionalization of the porphyrin allowed to arrange the [VO(TPP)] units into a metal–organic framework without affecting its magnetic properties.…”

Section: Discussionmentioning

confidence: 99%

Controlled coherent dynamics of [VO(TPP)], a prototype molecular nuclear qudit with an electronic ancilla

et al. 2021

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“…[58] The V=O group is readily accessible in these flat molecules [59], with the potential to perform single spin EPR by using a Scanning Probe Microscopy, as recently reported for a phthalocyanine complex [60]. Equally relevant is the possibility to couple more porphyrin rings to induce interactions between the coordinated metal ions [61], as required for the implementation of quantum gates. Last but not least, chemical functionalization of the porphyrin allowed to arrange the [VO(TPP)] units into a metal-organic framework without affecting its magnetic properties [50].…”

Section: Discussionmentioning

confidence: 98%

Controlled coherent dynamics of [VO(TPP)], a prototype molecular nuclear qudit with an electronic ancilla

Chicco¹,

Chiesa²,

Allodi³

et al. 2021

Preprint

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We show that [VO(TPP)] (vanadyl tetraphenylporphyrinate) is a promising system suitable to implement quantum computation algorithms based on encoding information in multi-level (qudit) units. Indeed, it embeds an electronic spin 1/2 coupled through hyperfine interaction to a nuclear spin 7/2, both characterized by remarkable coherence. We demonstrate this by an extensive broadband nuclear magnetic resonance study, which allow us to characterize the nuclear spin-Hamiltonian and to measure the spin dephasing time as a function of the magnetic field. In addition, we combine targeted measurements and numerical simulations to show that nuclear spin transitions conditioned by the state of the electronic qubit can be individually addressed and coherently manipulated by resonant radio-frequency pulses, thanks to the remarkably long coherence times and the effective quadrupolar coupling induced by the strong hyperfine coupling. This approach may open new perspectives for developing new molecular qubit-qudit systems.

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ELDOR-detected NMR beyond hyperfine couplings: a case study with Cu(ii)-porphyrin dimers

Abstract: The pulse EPR method ELDOR-detected NMR gives information about electron–electron couplings in Cu(ii) porphyrin dimers.

Cited by 27 publications

References 55 publications

Radiation-Induced Stable Radicals in Calcium Phosphates: Results of Multifrequency EPR, EDNMR, ESEEM, and ENDOR Studies

Radiation-Induced Stable Radicals in Calcium Phosphates: Results of Multifrequency EPR, EDNMR, ESEEM, and ENDOR Studies

Controlled coherent dynamics of [VO(TPP)], a prototype molecular nuclear qudit with an electronic ancilla

Controlled coherent dynamics of [VO(TPP)], a prototype molecular nuclear qudit with an electronic ancilla

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