Generation, Characterization, and Reactivity of the Transition Metal−o-Benzyne Analog of Pyrazine (Fe+−2,3-Didehydropyrazine) in the Gas Phase:  An Experimental and Theoretical Study

1999 ◽  
Vol 18 (9) ◽  
pp. 1774-1785 ◽  
Author(s):  
Huiping Chen ◽  
Denley B. Jacobson ◽  
Ben S. Freiser
Keyword(s):  
Transition Metal ◽  
Gas Phase ◽  
Theoretical Study

scholarly journals Adsorption of Formic Acid on Pd(111) Catalyst in the Gas Phase

2017 ◽  
Vol 42 (1) ◽  
pp. 30-35
Author(s):  
Yingying Wang ◽  
Chuanliang Li ◽  
Bing Xu
Keyword(s):  
Fuel Cells ◽  
Transition Metal ◽  
Formic Acid ◽  
Gas Phase ◽  
Theoretical Study ◽  
Stable Configuration ◽  
Adsorption Behaviour ◽  
Weakly Interact ◽  
Transition Metal Surfaces ◽  
First Time

It is important to understand the nature of formic acid (HCOOH) adsorption on transition metal surfaces so as to elucidate the mechanism of its decomposition in direct HCOOH fuel cells. Despite the overwhelming interest, not much is known about the adsorption behaviour of HCOOH on Pd(111) surfaces. This work presents a theoretical study of monomeric HCOOH adsorption on Pd(111) surfaces in the gas phase. The stable configurations of the adsorbed molecules on the surface are displayed, with some omitted in previous studies. Our calculations show that the most stable configuration is that with the hydroxyl O and H on C in HCOOH binding to the surface. The modes of adsorption of HCOOH dimer are presented on Pd(111) for the first time. It is found that both the monomer and dimer of HCOOH weakly interact with the surface. Our results are intended to provide valuable insights to understand the reactivity of HCOOH on Pd(111).

Metalloradical complex Co–C˙Ph3 catalyzes the CO2 reduction in gas phase: a theoretical study

2021 ◽  
Author(s):  
Chuan-Kai Tang ◽  
Ya-Zhou Li ◽  
Zhong-Jun Zhou ◽  
Fang Ma ◽  
Yirong Mo
Keyword(s):  
Transition Metal ◽  
Gas Phase ◽  
Theoretical Study ◽  
Co2 Reduction

Two advantages of metalloradical: serves as an initiator of CO2 reduction and provides transition metal hydrogen complex (TMHC).

The effect of partial exchange of sulphonated macroporous styrene-divinylbenzene copolymers for different ions on their catalytic activity

1981 ◽  
Vol 46 (10) ◽  
pp. 2354-2363 ◽  
Author(s):  
Svatomír Kmošták ◽  
Karel Setínek
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Metal Ions ◽  
Gas Phase ◽  
Transition Metal Ions ◽  
Exchange Capacity ◽  
Total Exchange Capacity ◽  
Styrene Divinylbenzene ◽  
Na Ions ◽  
Type Of Transition

The catalytic activity of sulphonated macroporous styrene-divinylbenzene copolymers, the exchange capacity of which was neutralized from 30, 50 and 80% by Fe(III) ions and from 30% by Na ions and that of Wofatit Y-37 ion exchanger neutralized from 10% of its total exchange capacity by several transition metal ions and by sodium has been studied in isomerisation of cyclohexene and dehydration of 1-propanol in the gas phase at 130 °C. It was demonstrated that in both reactions transition metal ions exhibit additional effect to the expected neutralization of the polymer acid groups. In the case of cyclohexene isomerization, this effect depends on the degree of crosslinking of polymer mass of the catalyst. Such dependence has not been, however, observed in dehydration of 1-propanol. The type of transition metal ions did not exhibit any significant effect on the catalytic activity of the polymer catalysts studied.

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

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