Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.

The accurate electron density distribution and magnetic properties of two metal--organic polymeric magnets, the quasi-one-dimensional (1D) Cu(pyz)(NO) and the quasi-two-dimensional (2D) [Cu(pyz)(NO)]NO·HO, have been investigated by high-resolution single-crystal X-ray diffraction and density functio...

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Publicado en:	Journal of the American Chemical Society Vol. 138; no. 7; pp. 2280 - 2292
Autores principales:	Dos Santos, Leonardo H. R., Lanza, Arianna, Barton, Alyssa M., Brambleby, Jamie, Blackmore, William J. A., Goddard, Paul A., Fan Xiao, Williams, Robert C., Lancaster, Tom, Pratt, Francis L., Blundell, Stephen J., Singleton, John, Manson, Jamie L., Macchi, Piero
Formato:	Artículo
Publicado:	American Chemical Society 2/24/2016
Materias:	Electron density Pyrazines Density functional theory X-ray diffraction Molecular orbitals Coordination polymers
Acceso en línea:	Ver este registro en EBSCOhost