The Green function method in the theory of nuclear and electron spin polarization. I. General theory, zero approximation and applications

Purtov, P. A.; Doktorov, A.B.

doi:10.1016/0301-0104(93)85050-i

Cited by 58 publications

(52 citation statements)

References 20 publications

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“…The solid lines are calculated using the solution of spin chemistry master equation. 28,42,43 Thus, simultaneous analysis of CIDNP and fluorescence data allows us to trace all short-lived intermediates involved in the excitation quenching of dyads 2(a,b) and 3(a,b): the LE state, exciplex, and BZ. All of them in any manner depend on the solvent polarity.…”

Section: Figmentioning

confidence: 99%

Impact of chirality on the photoinduced charge transfer in linked systems containing naproxen enantiomers

Khramtsova

Sosnovsky

Ageeva

et al. 2016

Phys. Chem. Chem. Phys.

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The model reaction of photoinduced donor-acceptor interaction in linked systems (dyads) has been used to study the comparative reactivity of a well-known antiinflammatory drug, (S)-naproxen (NPX) and its (R)-isomer. (R)-or (S)-NPX in these dyads is linked to (S)-N-methylpyrrolidine (Pyr) using a linear or cyclic amino acid bridge (AA or CyAA), to give (R)-/(S)-NPX-AA-(S)-Pyr flexible and (R)-/(S)-NPX-CyAA-(S)-Pyr rigid dyads. The donor-acceptor interaction is reminiscent of the binding (partial charge transfer, CT) and electron transfer (ET) processes involved in the extensively studied inhibition of the cyclooxygenase enzymes (COXs) by the NPX enantiomers. Besides that, both optical isomers undergo oxidative metabolism by enzymes from the P450 family, which also includes ET. The scheme proposed for the excitation quenching of the (R)-and (S)-NPX excited state in these dyads is based on the joint analysis of the chemically induced dynamic nuclear polarization (CIDNP) and fluorescence data. The 1 H CIDNP effects in this system appear in the back electron transfer in the biradical-zwitterion (BZ), which is formed via dyad photoirradiation. The rate constants of individual steps in the proposed scheme and the fluorescence quantum yields of the local excited (LE) states and exciplexes show stereoselectivity. It depends on the bridge's length, structure and solvent polarity. The CIDNP effects (experimental and calculated) also demonstrate stereodifferentiation. The exciplex quantum yields and the rates of formation are larger for the dyads containing (R)-NPX, which let us suggest a higher contribution from the CT processes with the (R)-optical isomer.

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Section: Figmentioning

confidence: 99%

Impact of chirality on the photoinduced charge transfer in linked systems containing naproxen enantiomers

Khramtsova

Sosnovsky

Ageeva

et al. 2016

Phys. Chem. Chem. Phys.

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“…Spin-dependent recombination probability for a radical ion pair where both singlet and triplet states are reactive was considered earlier using Green function theory [35]. In the framework of this consideration, an equation for the sign of CIDNP produced by both S and T recombination channels of the RIP can be obtained from [36,37].…”

Section: Figure 6 Dependencies Of the Tr Cidnp (Delay 1µs) Intensitymentioning

confidence: 99%

Spin Chemistry Investigation of Peculiarities of Photoinduced Electron Transfer in Donor–Acceptor Linked System

et al. 2011

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Magin, I.; Polyakov, N.; Khramtsova, E.; Stepanov, A.; Purtov, P.; Leshina, T.... (2011). Spin chemistry investigation of peculiarities of photoinduced electron transfer in donor-acceptor linked system. Applied Magnetic Resonance. 41(2-4):205-220. doi:10.1007/s00723-011-0288-3.Spin chemistry investigation of peculiarities of photoinduced electron transfer in donor-acceptor linked system. Abstract. Photoinduced intramolecular electron transfer (PET) in linked systems, (R,S)-and (S,S)-naproxen-N-methylpyrrolidine dyads, has been studied by means of spin chemistry methods

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“…According to [2,14], for radicals with non-equivalent nuclei the polarization mg of the j-th nucleus in the product of the geminate recombination of radicals for the triplet RP precursor is expressed by the following equation:…”

Section: Discussionmentioning

confidence: 99%

CIDNP in photolysis of acetone solutions in plastic crystals of cyclohexane-d12

et al. 1995

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The Green function method in the theory of nuclear and electron spin polarization. I. General theory, zero approximation and applications

Cited by 58 publications

References 20 publications

Impact of chirality on the photoinduced charge transfer in linked systems containing naproxen enantiomers

Impact of chirality on the photoinduced charge transfer in linked systems containing naproxen enantiomers

Spin Chemistry Investigation of Peculiarities of Photoinduced Electron Transfer in Donor–Acceptor Linked System

CIDNP in photolysis of acetone solutions in plastic crystals of cyclohexane-d12

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