Encapsulation of a Ni salen complex in zeolite Y: an experimental and DFT study

2015 ◽  
Vol 44 (8) ◽  
pp. 3753-3763 ◽  
Author(s):  
Archana Choudhary ◽  
Bidisa Das ◽  
Saumi Ray
Keyword(s):  
Magnetic Properties ◽  
Zeolite Y ◽  
Dft Study ◽  
Nonplanar Geometry ◽  
Salen Complex

A planar diamagnetic Ni-complex when encapsulated in zeolite Y adopts a nonplanar geometry and shows a pragmatic change in its magnetic properties.

Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups

2021 ◽  
Vol 520 ◽  
pp. 120310
Author(s):  
Marjan Abedi ◽  
Ray J. Butcher ◽  
Amir Nasser Shamkhali ◽  
Vojislav Spasojevic ◽  
Karrar Al-Ameed ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Macrocyclic Complex ◽  
Dft Study ◽  
Dinuclear Copper

Understanding the Reactivity and Basicity of Zeolites: A Periodic DFT Study of the Disproportionation of N2O4 on Alkali-Cation-Exchanged Zeolite Y

2008 ◽  
Vol 14 (17) ◽  
pp. 5168-5177 ◽  
Author(s):  
Pierre Mignon ◽  
Evgeny A. Pidko ◽  
Rutger A. Van Santen ◽  
Paul Geerlings ◽  
Robert A. Schoonheydt
Keyword(s):  
Zeolite Y ◽  
Alkali Cation ◽  
Dft Study ◽  
Periodic Dft

scholarly journals Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

2018 ◽  
Vol 9 ◽  
pp. 27-33 ◽  
Author(s):  
Rodrigo A. Mendes ◽  
José Carlos Germino ◽  
Bruno R. Fazolo ◽  
Ericson H.N.S. Thaines ◽  
Franklin Ferraro ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Dft Study ◽  
Electronic And Magnetic Properties

Tetranuclear Copper(II) Complexes Bearing Cu4O6and Cu4O4Cores: Synthesis, Structure, Magnetic Properties, and DFT Study

2010 ◽  
Vol 2010 (5) ◽  
pp. 790-0798 ◽  
Author(s):  
Atanu Banerjee ◽  
Reena Singh ◽  
Pallab Mondal ◽  
Enrique Colacio ◽  
Kajal Krishna Rajak
Keyword(s):  
Magnetic Properties ◽  
Dft Study

DFT study on the electronic and magnetic properties of the Sr2FeNbO6 compound

2020 ◽  
Vol 23 ◽  
pp. 100844
Author(s):  
J.L. Rosas ◽  
J.M. Cervantes ◽  
J. León-Flores ◽  
E. Carvajal ◽  
J.A. Arenas ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Dft Study ◽  
Electronic And Magnetic Properties

Electronic and magnetic properties of small Rh n Ca (n  = 1-9) clusters: A DFT study

2015 ◽  
Vol 116 (5) ◽  
pp. 346-356 ◽  
Author(s):  
Abdelhamid Soltani ◽  
Abdel-Ghani Boudjahem ◽  
Mohammed Bettahar
Keyword(s):  
Magnetic Properties ◽  
Dft Study ◽  
Electronic And Magnetic Properties

EPR Analysis of Copper Exchanged and Encapsulated Copper (SALEN) Complex in Zeolite - Y

1994 ◽  
Vol 368 ◽  
Author(s):  
N Ulagappan ◽  
V Krishnasamy
Keyword(s):  
Copper Complex ◽  
Zeolite Y ◽  
Spin Hamiltonian Parameter ◽  
Epr Spectra ◽  
Spin Hamiltonian ◽  
Salen Complex ◽  
Hamiltonian Parameter

ABSTRACTCopper exchanged and copper-(salen) complex encapsulated in zeolite-Y were prepared. The encapsulaled complex was analysed by TGA, DRS and IR, which confirms the presence of complex in zeolite. Both copper materials were examined by EPR spectra, and the calculated spin-Hamiltonian parameter indicates the copper complex is more covalent in character than NaCu-Y.

Mixed bridged dinuclear Ni(II) complexes: synthesis, structure, magnetic properties and DFT study

2008 ◽  
pp. 6539 ◽  
Author(s):  
Atanu Banerjee ◽  
Reena Singh ◽  
Deepak Chopra ◽  
Enrique Colacio ◽  
Kajal Krishna Rajak
Keyword(s):  
Magnetic Properties ◽  
Dft Study
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