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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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 138; no. 7; pp. 2280 - 2292
Main Authors:	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
Format:	Article
Published:	American Chemical Society 2/24/2016
Subjects:	Electron density Pyrazines Density functional theory X-ray diffraction Molecular orbitals Coordination polymers
Online Access:	View this record in EBSCOhost