Research output: Contribution to journal › Article › peer-review
Reaction Operator in the Main Equation of Spin Chemistry. / Purtov, P. A.
In: Russian Journal of Physical Chemistry B, Vol. 18, No. 1, 02.2024, p. 23-27.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Reaction Operator in the Main Equation of Spin Chemistry
AU - Purtov, P. A.
N1 - This work was supported by ongoing institutional funding.
PY - 2024/2
Y1 - 2024/2
N2 - In our previous works, using an exactly solvable model as an example, we demonstrated the validity of the reaction operator in the basic equation of spin chemistry. However, in those works, only recombination from the singlet state was considered, although the general relations allowed us to consider the general case. In this paper, such a general case is analyzed. The radical pair comes into contact in a mixed singlet-triplet state, and recombination proceeds from both the singlet and triplet states. The result obtained fully corresponds to the basic equation of spin chemistry.
AB - In our previous works, using an exactly solvable model as an example, we demonstrated the validity of the reaction operator in the basic equation of spin chemistry. However, in those works, only recombination from the singlet state was considered, although the general relations allowed us to consider the general case. In this paper, such a general case is analyzed. The radical pair comes into contact in a mixed singlet-triplet state, and recombination proceeds from both the singlet and triplet states. The result obtained fully corresponds to the basic equation of spin chemistry.
KW - density matrix
KW - projection operator
KW - radical pair
KW - recombination
KW - singlet-triplet transitions
KW - spin Hamiltonian
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85189516448&origin=inward&txGid=c96eabf8303309e2c5386edc027321c4
UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001197827200033
UR - https://www.mendeley.com/catalogue/cbbab764-3ab8-3613-a617-5d836e4f602b/
U2 - 10.1134/S1990793124010366
DO - 10.1134/S1990793124010366
M3 - Article
VL - 18
SP - 23
EP - 27
JO - Russian Journal of Physical Chemistry B
JF - Russian Journal of Physical Chemistry B
SN - 1990-7931
IS - 1
ER -
ID: 61171745