The coordination chemistry of lanthanide and actinide metal ions with hydroxypyridinone-based decorporation agents: orbital and density based analyses

2018 ◽  
Vol 47 (46) ◽  
pp. 16603-16615 ◽  
Author(s):  
Biswajit Sadhu ◽  
Vijayakriti Mishra

Ligand-to-metal charge transfer, orbital-mixing, chelatoaromatic effect and topological constraints control the binding of lanthanide and actinide ions to hydroxypyridinone-based decorporation agents.

2015 ◽  
Vol 17 (2) ◽  
pp. 805-811 ◽  
Author(s):  
Pradeep R. Varadwaj ◽  
Arpita Varadwaj ◽  
Bih-Yaw Jin

Ligand(s)-to-metal charge transfer obtained from QTAIM charges unravel the Irving–William series for the equilibrium constants of late first-row bivalent metal ions.


2021 ◽  
Author(s):  
Qing-Dou Xu ◽  
Chen Zeng ◽  
Shao-Dong Su ◽  
Yu-Ying Yang ◽  
Sheng-Min Hu ◽  
...  

This work shows that the energy of MMCT in cyanidometal-bridged complexes can be tuned systematically by changing the auxiliary ligand of the cyanidometal bridge.


2017 ◽  
Vol 46 (38) ◽  
pp. 12964-12970 ◽  
Author(s):  
Jishi Chen ◽  
Yanze Pan ◽  
Zonghua Wang ◽  
Peng Zhao

A series of tiara like structural Pdn(SR)2n (5 ≤ n ≤ 20) nanoclusters exhibit emission at 620 nm with excitation at around 268 nm. Their emission is due to ligand to metal charge transfer.


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