AN INVESTIGATION OF SPIN-ORBIT COUPLING OF [Eu(NO3)3 (2 pb)2]?CH3COCH3 COMPLEX
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Tarih
2020
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Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In this study, Eu metal investigated from lanthanides. [Eu(NO3)3(2pb)2]?CH3COCH3 (Trinitratdi-(2-pyridilbenzimidazol)Eu(III).Aseton) complex was structurally optimized by using the Gaussian program. Geometricstructure, molecular geometry, optimized geometric parameters, bond length, and bond angle of the complex were calculatedusing the SDD basis set of (DFT/B3LYP). HOMO- LUMO gap energies were calculated using the DFT method. The spinorbit coupling parameter of the complex was theoretically calculated. Magnetic susceptibility analysis was performed usingthis value.
Açıklama
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Kaynak
EskiÅŸehir Technical University Journal of Science and and Technology A- Applied Sciences and Engineering
WoS Q DeÄŸeri
Scopus Q DeÄŸeri
Cilt
21
Sayı
3
Künye
AYHAN M, TANRIVERDİ M, ALTIN S, BAYRİ A (2020). AN INVESTIGATION OF SPIN-ORBIT COUPLING OF [Eu(NO3)3 (2 pb)2]∙CH3COCH3 COMPLEX. Eskişehir Technical University Journal of Science and and Technology A- Applied Sciences and Engineering, 21(3), 366 - 373. 10.18038/estubtda.751958
