Homogeneous ruthenium catalysed methanol dehydrogenation could become a key reaction for hydrogen production in liquid fuel cells. In order to improve existing catalytic systems, mechanistic insight is paramount in directing future studies. Herein, we describe what computational mechanistic research has taught us so far about ruthenium catalysed dehydrogenation reactions. In general, two mechanistic pathways can be operative in these reactions: a metal-centered or a metal-ligand cooperative (Noyori-Morris type) minimum energy reaction pathway (MERP). Discerning between these mechanisms on the basis of computational studies has proven to be highly input dependent, and to circumvent pitfalls it is important to consider several factors, such a...
This thesis deals with the aqueous-phase reforming of methanol catalysed by homogeneous pincer compl...
Ruthenium PNP complex <b>1a</b> (RuH(CO)Cl(HN(C<sub>2</sub>H<sub>4</sub>P<i>i</i>-Pr<sub>2</sub>...
Honors (Bachelor's)ChemistryUniversity of Michiganhttps://deepblue.lib.umich.edu/bitstream/2027.42/1...
Homogeneous ruthenium catalysed methanol dehydrogenation could become a key reaction for hydrogen pr...
Herein we provide mechanistic insights into the dehydrogenation of aqueous methanol catalysed by the...
Insights into the mechanism of the catalytic cycle for methanol dehydrogenation catalyzed by a highl...
We report a comprehensive density functional theory (DFT) study of the mechanism of the methanol deh...
Insights into the mechanism of the catalytic cycle for methanol dehydrogenation catalyzed by a highl...
We report a comprehensive density functional theory (DFT) study of the mechanism of the methanol deh...
Metal ligand cooperation (MLC) catalysis is a popular strategy to design highly efficient transition...
Methanol decomposition is one of the key reactions in direct methanol fuel cell (DMFC) state-of-the-...
To design new catalysts that meet the environmental, materials and energy concerns of modern society...
The mechanism of olein hydrogenation reactions catalyzed by Wilkinson\u27s catalyst, (PPh3)3RhCl, ha...
The paradigm of metal-ligand cooperation pervades the fields of organometallic chemistry and catalys...
Using first principles quantum mechanics [nonlocal density functional theory (B3LYP)], we calculated...
This thesis deals with the aqueous-phase reforming of methanol catalysed by homogeneous pincer compl...
Ruthenium PNP complex <b>1a</b> (RuH(CO)Cl(HN(C<sub>2</sub>H<sub>4</sub>P<i>i</i>-Pr<sub>2</sub>...
Honors (Bachelor's)ChemistryUniversity of Michiganhttps://deepblue.lib.umich.edu/bitstream/2027.42/1...
Homogeneous ruthenium catalysed methanol dehydrogenation could become a key reaction for hydrogen pr...
Herein we provide mechanistic insights into the dehydrogenation of aqueous methanol catalysed by the...
Insights into the mechanism of the catalytic cycle for methanol dehydrogenation catalyzed by a highl...
We report a comprehensive density functional theory (DFT) study of the mechanism of the methanol deh...
Insights into the mechanism of the catalytic cycle for methanol dehydrogenation catalyzed by a highl...
We report a comprehensive density functional theory (DFT) study of the mechanism of the methanol deh...
Metal ligand cooperation (MLC) catalysis is a popular strategy to design highly efficient transition...
Methanol decomposition is one of the key reactions in direct methanol fuel cell (DMFC) state-of-the-...
To design new catalysts that meet the environmental, materials and energy concerns of modern society...
The mechanism of olein hydrogenation reactions catalyzed by Wilkinson\u27s catalyst, (PPh3)3RhCl, ha...
The paradigm of metal-ligand cooperation pervades the fields of organometallic chemistry and catalys...
Using first principles quantum mechanics [nonlocal density functional theory (B3LYP)], we calculated...
This thesis deals with the aqueous-phase reforming of methanol catalysed by homogeneous pincer compl...
Ruthenium PNP complex <b>1a</b> (RuH(CO)Cl(HN(C<sub>2</sub>H<sub>4</sub>P<i>i</i>-Pr<sub>2</sub>...
Honors (Bachelor's)ChemistryUniversity of Michiganhttps://deepblue.lib.umich.edu/bitstream/2027.42/1...