Influence of non-bridging donor atoms on the value of exchange interaction in binuclear CuII complexes with bis-hydrazones based on 2,6-diformylphenol
- Авторы: Shcherbakov I.1, Levchenkov S.1,2
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Учреждения:
- Southern Federal University
- Southern Scientific Center, Russian Academy of Sciences
- Выпуск: Том 67, № 7 (2018)
- Страницы: 1167-1172
- Раздел: Article
- URL: https://journals.rcsi.science/1066-5285/article/view/242672
- DOI: https://doi.org/10.1007/s11172-018-2197-1
- ID: 242672
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Аннотация
The quantum chemical simulation of exchange interaction according to the broken symmetry approach was performed for a series of binuclear CuII complexes containing the asymmetric exchange moiety based on bis-hydrazones of 2,6-diformylphenol. The calculated values were compared between themselves and with the experimental values of the exchange parameter 2J for the binuclear copper(II) complexes with bis-hydrazones based on 2,6-diformylphenol in order to reveal the influence pattern of the nature of nonbridging donor atoms X (O, N, S, and Se) onto the exchange interaction. The strength of exchange interaction of the antiferromagnetic type depends significantly on the nature of nonbridging donor atoms, increasing in the series of X = O, NH, S, and Se.
Об авторах
I. Shcherbakov
Southern Federal University
Автор, ответственный за переписку.
Email: shcherbakov@sfedu.ru
Россия, 7 ul. Zorge, Rostov-on-Don, 344060
S. Levchenkov
Southern Federal University; Southern Scientific Center, Russian Academy of Sciences
Email: shcherbakov@sfedu.ru
Россия, 7 ul. Zorge, Rostov-on-Don, 344060; 41 ul. Chehova, Rostov-on-Don, 344006