Research output: Contribution to journal › Article › peer-review
Magnetic field and orientation dependence of solid-state CIDNP. / Sosnovsky, Denis V.; Lukzen, Nikita N.; Vieth, Hans Martin et al.
In: Journal of Chemical Physics, Vol. 150, No. 9, 094105, 07.03.2019.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Magnetic field and orientation dependence of solid-state CIDNP
AU - Sosnovsky, Denis V.
AU - Lukzen, Nikita N.
AU - Vieth, Hans Martin
AU - Jeschke, Gunnar
AU - Gräsing, Daniel
AU - Bielytskyi, Pavlo
AU - Matysik, Jörg
AU - Ivanov, Konstantin L.
PY - 2019/3/7
Y1 - 2019/3/7
N2 - The magnetic field dependence of Chemically Induced Dynamic Nuclear Polarization (CIDNP) in solid-state systems is analyzed theoretically with the aim to explain the puzzling sign change of polarization found at low fields [D. Gräsing et al., Sci. Rep. 7, 12111 (2017)]. We exploit the analysis of polarization in terms of level crossings and level anti-crossings trying to identify the positions of features in the CIDNP field dependence with specific crossings between spin energy levels of the radical pair. Theoretical treatment of solid-state CIDNP reveals a strong orientation dependence of polarization due to the spin dynamics conditioned by anisotropic spin interactions. Specifically, different anisotropic CIDNP mechanisms become active at different magnetic fields and different molecular orientations. Consequently, the field dependence and orientation dependence of polarization need to be analyzed together in order to rationalize experimental observations. By considering both magnetic field and orientation dependence of CIDNP, we are able to explain the previously measured CIDNP field dependence in photosynthetic reaction centers and to obtain a good qualitative agreement between the experimental observations and theoretical results.
AB - The magnetic field dependence of Chemically Induced Dynamic Nuclear Polarization (CIDNP) in solid-state systems is analyzed theoretically with the aim to explain the puzzling sign change of polarization found at low fields [D. Gräsing et al., Sci. Rep. 7, 12111 (2017)]. We exploit the analysis of polarization in terms of level crossings and level anti-crossings trying to identify the positions of features in the CIDNP field dependence with specific crossings between spin energy levels of the radical pair. Theoretical treatment of solid-state CIDNP reveals a strong orientation dependence of polarization due to the spin dynamics conditioned by anisotropic spin interactions. Specifically, different anisotropic CIDNP mechanisms become active at different magnetic fields and different molecular orientations. Consequently, the field dependence and orientation dependence of polarization need to be analyzed together in order to rationalize experimental observations. By considering both magnetic field and orientation dependence of CIDNP, we are able to explain the previously measured CIDNP field dependence in photosynthetic reaction centers and to obtain a good qualitative agreement between the experimental observations and theoretical results.
KW - PHOTOSYNTHETIC REACTION CENTERS
KW - DYNAMIC NUCLEAR-POLARIZATION
KW - RADICAL-PAIR
KW - SPIN POLARIZATION
KW - SPHAEROIDES R26
KW - MAS NMR
KW - MECHANISM
KW - RECOMBINATION
KW - CRYSTALS
KW - SPECTRA
UR - http://www.scopus.com/inward/record.url?scp=85062288324&partnerID=8YFLogxK
U2 - 10.1063/1.5077078
DO - 10.1063/1.5077078
M3 - Article
C2 - 30849872
AN - SCOPUS:85062288324
VL - 150
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
M1 - 094105
ER -
ID: 18669829