Relativistic effects in reactions of the coinage metal dimers in the gas phase

1993 ◽  
Vol 99 (4) ◽  
pp. 2583-2590 ◽  
Author(s):  
Li Lian ◽  
Peter A. Hackett ◽  
David M. Rayner
Keyword(s):  
Gas Phase ◽  
Relativistic Effects ◽  
Coinage Metal

Ligation kinetics as a probe for relativistic effects in ion chemistry: Gas-phase ligation of Ni+, Pd+ and Pt+ at room temperature

2017 ◽  
Vol 418 ◽  
pp. 193-197 ◽  
Author(s):  
Voislav Blagojevic ◽  
Vitali V. Lavrov ◽  
Gregory K. Koyanagi ◽  
Diethard K. Bohme
Keyword(s):  
Gas Phase ◽  
Room Temperature ◽  
Relativistic Effects ◽  
Ion Chemistry

Gas-phase propene epoxidation over coinage metal catalysts

2011 ◽  
Vol 38 (1) ◽  
pp. 1-24 ◽  
Author(s):  
Jiahui Huang ◽  
Masatake Haruta
Keyword(s):  
Gas Phase ◽  
Metal Catalysts ◽  
Coinage Metal

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

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.

scholarly journals Coinage Metal–Sulfur Complexes: Stability on Metal(111) Surfaces and in the Gas Phase

2019 ◽  
Author(s):  
Jiyoung Lee ◽  
Theresa L. Windus ◽  
Patricia A. Thiel ◽  
James W. Evans ◽  
Da-Jiang Liu
Keyword(s):  
Gas Phase ◽  
Coinage Metal
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