(η4-Cyclo-octa-1,4-diene)(η6-cyclo-octa-1,3,5-triene)ruthenium(0) chemistry: the role of molecular hydrogen in a new synthetic route to cyclo-olefin ruthenium complexes

1977 ◽  
pp. 132-133 ◽  
Author(s):  
Paolo Pertici ◽  
GianPaolo Simonelli ◽  
Giovanni Vitulli ◽  
Giulio Deganello ◽  
PierLuigi Sandrini ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Ruthenium Complexes ◽  
Synthetic Route

σ-Silane Ruthenium Complexes: The Crucial Role of Secondary Interactions

2006 ◽  
Vol 2006 (11) ◽  
pp. 2115-2127 ◽  
Author(s):  
Sébastien Lachaize ◽  
Sylviane Sabo-Etienne
Keyword(s):  
Crucial Role ◽  
Ruthenium Complexes ◽  
Secondary Interactions

A selenium-containing ruthenium complex as a cancer radiosensitizer, rational design and the important role of ROS-mediated signalling

2015 ◽  
Vol 51 (13) ◽  
pp. 2637-2640 ◽  
Author(s):  
Zhiqin Deng ◽  
Lianling Yu ◽  
Wenqiang Cao ◽  
Wenjie Zheng ◽  
Tianfeng Chen
Keyword(s):  
Rational Design ◽  
Ruthenium Complex ◽  
Ruthenium Complexes

We have described the rational design of selenium-containing ruthenium complexes and their use as cancer radiosensitizers through regulating ROS-mediated pathways.

scholarly journals Catalytic Role of Refractory Interstellar Grain Analogs on H2 Formation

2021 ◽  
Vol 8 ◽  
Author(s):  
Tushar Suhasaria ◽  
Vito Mennella
Keyword(s):  
Molecular Hydrogen ◽  
Laboratory Experiments ◽  
Dust Grains ◽  
Interstellar Gas ◽  
Complex Molecules ◽  
Catalytic Role ◽  
H2 Formation ◽  
Dust Grain

Refractory dust grains have an important role to play in the chemistry of star and planet-forming regions. Their surfaces interact with interstellar gas and act as a catalyst for the formation of simple and complex molecules in space. Several mechanisms have been invoked to explain how molecular hydrogen is formed in reactions on dust grain surfaces in different regions of space. In this article, we give an overview of our understanding of the laboratory experiments, conducted over the last 20 years, that deal with H2 formation on interstellar grain analogs in space simulated conditions.

Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2activation and labilization

2014 ◽  
Vol 43 (35) ◽  
pp. 13410-13423 ◽  
Author(s):  
K. S. Naidu ◽  
Yogesh P. Patil ◽  
Munirathinam Nethaji ◽  
Balaji R. Jagirdar
Keyword(s):  
Molecular Hydrogen ◽  
Ruthenium Complexes

Synthesis of some new highly electrophilic ruthenium complexes bearing the 1,2-bis(dipentafluorophenyl phosphino)ethane ligand and their reactivity studies towards activation and labilization of molecular hydrogen are reported.

The role of hydrogen bonding in tuning CEST contrast efficiency: A comparative study of intra and inter molecular hydrogen bonding

2022 ◽  
Author(s):  
Shalini Pandey ◽  
Subhayan Chakraborty ◽  
Rimilmandrita Ghosh ◽  
Divya Radhakrishnan ◽  
Saravanan Peruncheralathan ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Comparative Study ◽  
Contrast Agents ◽  
Diagnostic Tool ◽  
Molecular Hydrogen

The effectiveness of MRI as a diagnostic tool have increased tremendously after the discovery of contrast agents (CA). Most of the clinically approved CAs at present are relaxation based and...

scholarly journals Zirconocene-Catalyzed Dimerization of α-Olefins: DFT Modeling of the Zr-Al Binuclear Reaction Mechanism

Molecules ◽  
2019 ◽  
Vol 24 (19) ◽  
pp. 3565 ◽  
Author(s):  
Ilya Nifant’ev ◽  
Alexander Vinogradov ◽  
Alexey Vinogradov ◽  
Stanislav Karchevsky ◽  
Pavel Ivchenko
Keyword(s):  
Density Functional Theory ◽  
Reaction Mechanism ◽  
Molecular Hydrogen ◽  
Density Functional ◽  
Effective Agent ◽  
Functional Theory ◽  
Dft Simulation ◽  
Dft Modeling ◽  
Dft Simulations

Zirconocene-mediated selective dimerization of α-olefins usually occurs when precatalyst (η5-C5H5)2ZrCl2 is activated by minimal excess of methylalumoxane (MAO). In this paper, we present the results of density functional theory (DFT) simulation of the initiation, propagation, and termination stages of dimerization and oligomerization of propylene within the framework of Zr-Al binuclear mechanism at M-06x/DGDZVP level of theory. The results of the analysis of the reaction profiles allow to explain experimental facts such as oligomerization of α-olefins at high MAO/(η5-C5H5)2ZrCl2 ratios and increase of the selectivity of dimerization in the presence of R2AlCl. The results of DFT simulations confirm the crucial role of the presence of chloride in the selectivity of dimerization. The molecular hydrogen was found in silico and proven experimentally as an effective agent that increases the rate and selectivity of dimerization.

Sign in / Sign up

Export Citation Format

Share Document