scholarly journals Structures and Uranium-Uranium Multiple Bond of Binuclear Divalent Uranium Complex of Pyrrolic Schiff-base Macrocycle: a Relativistic DFT Probe

2017 ◽  
Vol 75 (5) ◽  
pp. 457 ◽  
Author(s):  
Fangyuan Chen ◽  
Ning Qu ◽  
Qunyan Wu ◽  
Hongxing Zhang ◽  
Weiqun Shi ◽  
...  
2016 ◽  
Vol 45 (40) ◽  
pp. 15910-15921 ◽  
Author(s):  
Xiu-Jun Zheng ◽  
Nicola L. Bell ◽  
Charlotte J. Stevens ◽  
Yu-Xi Zhong ◽  
Georg Schreckenbach ◽  
...  

Relativistic DFT calculations present accurate geometries of complexes and redox properties, confirmed by the newly-developed experimental syntheses.


2021 ◽  
Author(s):  
Cyril Rajnák ◽  
Romana Mičová ◽  
Ján Moncoľ ◽  
Ľubor Dlháň ◽  
Christoph Krüger ◽  
...  

A pentadentate Schiff-base ligand 3,5Cl-L2− and NCSe− form a iron(iii) mononuclear complex [Fe(3,5Cl-L)(NCSe)], which shows a thermally induced spin crossover with a broad hysteresis width of 24 K between 123 K (warming) and 99 K (cooling).


2011 ◽  
Vol 3 (11) ◽  
pp. 44-48
Author(s):  
Alekha Kumar Sutar ◽  
◽  
Yasobanta Das ◽  
Prasanta Rath ◽  
Tungabidya Maharana

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