Quantum Chemical Study of Spin Transitions in Bimetallic Complexes Fe-M (M=Co, Ni, Cu, Zn) with 1,10-Phenanthroline Linker

Theoretical study (DFT UB3LYP*/6-311++G(d,p)) of the structure, energy and magnetic properties of the electromeric forms of binuclear Fe–M (M= Co, Ni, Cu, Zn) complexes comprising linker on the basis of 1,10-phenanthroline was performed. The investigation of the spin-state-switching mechanisms has shown that all the considered compounds are capable to undergo spin-crossover at iron ion. In solutions of the complexes with Co and Ni bis-chelates there is a possibility of the occurrence of a competitive process accompanied by changing the magnetic characteristics – configurational isomerism.

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04.11.2018

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04.11.2018

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GOST	Starikova A., Minkin V. Quantum Chemical Study of Spin Transitions in Bimetallic Complexes Fe-M (M=Co, Ni, Cu, Zn) with 1,10-Phenanthroline Linker // Doklady Akademii nauk – 2018. – V. 482. – Issue 1 C. 42-45 [Electronic resource]. URL: http://ras.jes.su/dan/s086956520003133-9-1-en (circulation date: 20.04.2024). DOI: 10.31857/S086956520003133-9
MLA	Starikova, A., Minkin, Vladimir "Quantum Chemical Study of Spin Transitions in Bimetallic Complexes Fe-M (M=Co, Ni, Cu, Zn) with 1,10-Phenanthroline Linker." Doklady Akademii nauk 482.1 (2018):42-45. DOI: 10.31857/S086956520003133-9
APA	Starikova A., Minkin V. (2018). Quantum Chemical Study of Spin Transitions in Bimetallic Complexes Fe-M (M=Co, Ni, Cu, Zn) with 1,10-Phenanthroline Linker. Doklady Akademii nauk 482(1), pp.42-45 DOI: 10.31857/S086956520003133-9

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