Ligation kinetics as a probe for relativistic effects: Ligation of atomic coinage metal cations with ammonia

2017 ◽  
Vol 413 ◽  
pp. 81-84 ◽  
Author(s):  
Voislav Blagojevic ◽  
Vitali V. Lavrov ◽  
Gregory K. Koyanagi ◽  
Diethard K. Bohme
Keyword(s):  
Relativistic Effects ◽  
Metal Cations ◽  
Coinage Metal

C═C, C≡C, and C═O Bond Activation by Coinage Metal Cations in ZSM-5 Zeolites: Quantitative Charge Transfer Resolution

2013 ◽  
Vol 117 (15) ◽  
pp. 7511-7518 ◽  
Author(s):  
Paweł Kozyra ◽  
Ewa Broclawik ◽  
Mariusz Paweł Mitoraj ◽  
Jerzy Datka
Keyword(s):  
Charge Transfer ◽  
Bond Activation ◽  
Metal Cations ◽  
Coinage Metal

Hydrolysis of the heavy metal cations: Relativistic effects

2004 ◽  
Vol 6 (19) ◽  
pp. 4553-4557 ◽  
Author(s):  
Maria Barysz ◽  
Jerzy Leszczyński ◽  
Aleksander Bilewicz
Keyword(s):  
Heavy Metal ◽  
Relativistic Effects ◽  
Metal Cations ◽  
Heavy Metal Cations ◽  
Hydrolysis Of

An Ab Initio Pseudopotential Study of MnPo (M = Cu, Ag, Au; n = 1, 2) Systems

2005 ◽  
Vol 58 (11) ◽  
pp. 792 ◽  
Author(s):  
Qi-Mu Surong ◽  
Yongfang Zhao ◽  
Xiaogong Jing ◽  
Fengli Liu ◽  
Xinying Li ◽  
...  
Keyword(s):  
Bond Length ◽  
Electron Correlation ◽  
Bond Angle ◽  
Relativistic Effects ◽  
Cluster Method ◽  
Coinage Metal ◽  
Hartree Fock ◽  
Electron Correlation Effects ◽  
Moller Plesset ◽  
Correlation Corrections

The small coinage-metal polonium compounds MPo and M2Po, (M = Cu, Ag, Au) are studied at Hartree–Fock (HF), second-order Møller–Plesset perturbation theory (MP2), and coupled cluster method CCSD(T) levels using relativistic and non-relativistic pseudopotentials. The calculated geometries indicate that the M2Po (M = Cu, Ag, Au) systems have bent structures of ~64° angles. Electron correlation corrections to the bond length M–Po are extremely small, but to the bond angle M–Po–M are significant; in general, it was reduced from 86° to 64°. Relativistic effects on bond angle are small, but on bond length are distinct. Both electron correlation effects and relativistic effects are essential to determine the geometry and relative stability of the systems. It can be predicted that Au2Po is relatively stable compared with Ag2Po.

Exchange couplings and hydrogen dynamics in ruthenium trihydride adducts with coinage-metal cations

1997 ◽  
pp. 3153-3160 ◽  
Author(s):  
Blanca Manzano ◽  
Felix Jalon ◽  
Jochen Matthes ◽  
Sylviane Sabo-Etienne ◽  
Bruno Chaudret ◽  
...  
Keyword(s):  
Metal Cations ◽  
Coinage Metal
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