AN INVESTIGATION OF SPIN-ORBIT COUPLING OF [Eu(NO3)3 (2 pb)2]∙CH3COCH3 COMPLEX

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Eskişehir Technical University Journal of Science and Technology A - Applied Sciences Engineering
Volume:21 Issue:3
AN INVESTIGATION OF SPIN-ORBIT COUPLING OF [Eu(NO3)3 (2 pb)2]∙CH3COCH3 COMPLEX

AN INVESTIGATION OF SPIN-ORBIT COUPLING OF [Eu(NO3)3 (2 pb)2]∙CH3COCH3 COMPLEX

Authors : Murat AYHAN, Mustafa TANRIVERDİ, Serdar ALTIN, Ali BAYRİ

Pages : 366-373

Doi:10.18038/estubtda.751958

View : 29 | Download : 12

Publication Date : 2020-09-30

Article Type : Research Paper

Abstract :In this study, Eu metal investigated from lanthanides. Euinsert ignore into journalissuearticles values(NO3);3insert ignore into journalissuearticles values(2pb);2]CH3COCH3 insert ignore into journalissuearticles values(Euinsert ignore into journalissuearticles values(III);Nitrate -2-insert ignore into journalissuearticles values(2-pyridyl);benzimidazole.Acetone); complex was structurally optimized by using the Gaussian program. Geometric structure, molecular geometry, optimized geometric parameters, bond length, and bond angle of the complex were calculated using the SDD basis set of insert ignore into journalissuearticles values(DFT/B3LYP);. HOMO, LUMO, and Energy differences were calculated using the DFT method. The spin-orbit coupling parameter of the complex was theoretically calculated. Magnetic susceptibility analysis was performed using this value
Keywords : Eu Complex, HOMO LUMO, DFT, Spin Orbit Coupling

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