ChemInform Abstract: Molecular Hydrogen Complexes of the Transition Metals. Part 7. Kinetics and Thermodynamics of the Interconversion Between Dihydride and Dihydrogen Forms of W(CO)3(PR3)2H2 Where R: Isopropyl and Cyclopentyl.

ChemInform ◽  
1990 ◽  
Vol 21 (33) ◽  
Author(s):  
G. R. K. KHALSA ◽  
G. J. KUBAS ◽  
C. J. UNKEFER ◽  
L. S. VAN DER SLUYS ◽  
K. A. KUBAT-MARTIN
Keyword(s):  
Transition Metals ◽  
Molecular Hydrogen ◽  
Kinetics And Thermodynamics

Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial–equatorial decomposition: a DFT study

2019 ◽  
Vol 21 (30) ◽  
pp. 16601-16614 ◽  
Author(s):  
Diana Yepes ◽  
Pablo Jaque ◽  
Jorge I. Martínez-Araya
Keyword(s):  
Substituent Effect ◽  
Molecular Hydrogen ◽  
Aqueous Media ◽  
Hydrogen Release ◽  
Dft Study ◽  
Kinetics And Thermodynamics

The effect of electron-donating and -withdrawing groups is studied in terms of axial and equatorial locations at the p-pyridine rings in the [(PY5Me2)MoO]2+ for the H2 release in aqueous media. It opens a way to modify its kinetics and thermodynamics.

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