Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

2013 ◽  
Vol 139 (5) ◽  
pp. 054104 ◽  
Author(s):  
Uğur Bozkaya ◽  
C. David Sherrill
Keyword(s):  
Hydrogen Transfer ◽  
Electron Pair ◽  
Vibrational Frequencies ◽  
Transfer Reactions ◽  
Equilibrium Geometries ◽  
Hydrogen Transfer Reactions

scholarly journals Hydrogen Transfer Reactions of Carbonyls, Alkynes, and Alkenes with Noble Metals in the Presence of Alcohols/Ethers and Amines as Hydrogen Donors

Catalysts ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 671 ◽  
Author(s):  
Eszter Baráth
Keyword(s):  
Condensed Phase ◽  
Crucial Role ◽  
Noble Metals ◽  
Hydrogen Transfer ◽  
Transfer Reactions ◽  
Hydrogen Donors ◽  
Stereoselective Reactions ◽  
Present Summary ◽  
Industrial Relevance ◽  
Hydrogen Transfer Reactions

Hydrogen transfer reactions have exceptional importance, due to their applicability in numerous synthetic pathways, with academic as well as industrial relevance. The most important transformations are, e.g., reduction, ring-closing, stereoselective reactions, and the synthesis of heterocycles. The present review provides insights into the hydrogen transfer reactions in the condensed phase in the presence of noble metals (Rh, Ru, Pd) as catalysts. Since the H-donor molecules (such as alcohols/ethers and amines (1°, 2°, 3°)) and the acceptor molecules (alkenes (C=C), alkynes (C≡C), and carbonyl (C=O) compounds) play a crucial role from mechanistic viewpoints, the present summary points out the key mechanistic differences with the interpretation of current contributions and the corresponding historical achievements as well.

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