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Magnetic exchange in {HATNA(Fe(II)Cl2)3}(2-) through anionic hexaazatrinaphthylene (HATNA) ligand in the Fe(II) (S = 2) trianglesстатья
- Авторы: Konarev Dmitri V., Khasanov Salavat S., Mikhailenko Maxim V., Batov Mikhail S., Shestakov Alexander F., Kuzmin Alexey V., Otsuka Akihiro, Yamochi Hideki, Kitagawa Hiroshi, Lyubovskaya Rimma N.
- Журнал: European Journal of Inorganic Chemistry
- Том: 2021
- Номер: 1
- Год издания: 2020
- Издательство: John Wiley & Sons Ltd.
- Местоположение издательства: United Kingdom
- Первая страница: 86
- Последняя страница: 92
- DOI: 10.1002/ejic.202000946
- Аннотация: Herein, a new method for the preparation of anionic hexaazatrinaphthylene (HATNA) coordination complexes was developed. The reduced HATNA coordinated three Fe(II)Cl2 units forthe formation of (CV+)2{HATNA(Fe(II)Cl2)3}(2-)·3.5 C6H4Cl2 (1) (CV+ is a cationic form of crystal violet). The Fe(II) atoms had a high S=2 spin state and were arranged in nearly equilateral triangles at a distance of approximately 7 Å. The χMT value of 1 was 9.70 emu·K/mol at 300 K, exceeding the calculated spin-only value of three independent high-spin Fe(II) centers (S=2)(9.00 emu·K/mol). A strong antiferromagnetic exchange was observed between Fe(II) atoms through the diamagnetic HATNAunits since Weiss temperature is -98 K. Magnetic behavior of 1 was modelled by PHI package obtaining the exchange interaction constant J=-4.6 cm(-1) and zero-field splitting parameter IDI=5.6 cm(-1) at g=2.23. Arrangement of magnetic centers in the equilateral triangles supposes that some degree of spin frustration exists in 1. Crystal structures of two phases of pristine HATNA molecule are also reported.
- Добавил в систему: Конарев Дмитрий Валентинович