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

Year 2020, Volume: 21 Issue: 3, 366 - 373, 30.09.2020

Murat Ayhan , Mustafa Tanrıverdi Serdar Altın , Ali Bayri

https://doi.org/10.18038/estubtda.751958

Abstract

In this study, Eu metal investigated from lanthanides. Eu(NO3)3(2pb)2]CH3COCH3 (Eu(III)Nitrate -2-(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 (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

References

• [1] Şahiner M, Arslan M, Ergin H, Akgök Y. Element İn The World and Turkey Rare Earth Mining. 5nd ed. Ankara, Turkey: Resarche Press, 2017.
• [2] Halefoğlu Y, Işık S. Synthesis of Lanthanite additive borate nano particles and investigation of luminescence properties by combustion method. Journal of Bor 2018; 3: 79- 86.
• [3] Özarslan S. Atomic structure calculations in heavy atoms. MsC, Selçuk Üniversity, Konya, Turkey, 2012.
• [4] İnan Orçun O. Obtaining Eu containing materials and examining single crystal structure. MsC, Balıkesir Üniversity, Balıkesir, Turkey, 2017.
• [5] Clerc S D, Jewsbury R, Mortimer A and Zeng J. Indirect bioluminescent determination of Europium(III) using flow injection analysis and on-line reduction. Anal. Chim. Acta 1997; 339: 225–259.
• [6] Dönmez A, Erkarslan A, Karadeniz U. Investigation of production and structure of Metalloganic Materials Containing Luminescence Containing Europium. Journal of BAUN Institute of Science of Technology 2017; 19(3): 64-69.
• [7] Çoban M. Synthesis and characterization of metal-organic frames containing some Lanthanite. PhD, Balıkesir Üniversity, Balıkesir, Turkey, 2017.
• [8] Heine J and Müller-Buschbaum K. Engineering metal-based luminescence in coordination polymers and metal–organic frameworks. From The Journal Chemical Society Reviews 2013; 42: 9232–9242.
• [9] Bünzli P, Jean Claude G, Claude P. Taking advantage of luminescent lanthanide ions. From The Journal Chemical Society Reviews 2005; 34: 1048–1077.
• [10] Mohamadau S, Nonat A, Hildebrandt N. and Charbonnière L J. Lanthanide-based luminescence biolabelling, Chem Commun 2016; 52: 5080–5095.
• [11] Altin E, Bayri A. Magnetic Properties of Eu+3 ions for different surroundings: An investigation of the spin-orbit coupling in the structures. Chemistry Research Journal 2019; 4(5): 18-22.
• [12] Gu F L, Liu J, Mei F, Jia S, Zhang D W, Xue Z Y. Synthetic spin–orbit coupling and topological polaritons in Janeys–Cummings lattices npj. Quantum Information volume 2019; 36: 1- 10.
• [13] Tannous C, Gieraltowski J. Magnetic properties from traditional to spintronic. Springer International Publishing 2017; 99- 107.
• [14] Altin S, Öz E, Altundağ S, Bayri A, Roisnel T, Dorcet V, Bruneau C, Özdemir İ,Yaşar S. Investigation of hybrid‐capacitor properties of ruthenium complexes. İnternational Journal of Energy Research 2019; 43: 6840–6851.
• [15] Günay N, Pir H, Atalay Y. Theoretıcal investıgatıon of spectroscopıc propertıes of L-Asparagınıum pıcrate molecule, Journal of SAÜ Institute of Science 2011; 1: 15- 32.
• [16] S Kamuran. Synthesis of 4-Chloromethy-6,8-dimethylcoumarin compound and theoretical chemical calculations research article. BEU Journal of Science 2018; 7(2): 311-319.
• [17] Lueken H. Course of lectures on magnetism of lanthanide ions under varying ligand and magnetic fields. 2nd ed. Aachen, Germany: Academic Press, 2008.
• [18] Roman DO, Peralta S, Pistolis G, Petrou AL, Chantzea AK, Escofet N E, Hernandez J D, Martha E. Torres, Silvia E, Castillo B. Lanthanide coordination compounds with benzimidazole-based ligands luminescence and EPR. Journal of Molecular Structure 2018; 1163: 252-261.