Unravelling the chain growth mechanism in Cr/NNN-catalysed ethylene oligomerization
Literature Information
Jiale Peng, Mengyu Zhu, Long Chen, Zhen Liu
A special and controversial Cr/NNN ethylene oligomerization system delivering oligomers in a Schulz–Flory distribution, which was suggested to follow a metallacycle mechanism, has been systematically investigated by means of density functional theory (DFT) methods. Both Cossee–Arlman and metallacycle mechanisms have been considered. DFT calculation results demonstrated that Cossee-type chain propagation operates in this case while the metallacyclic chain growth is less likely to occur. A larger kinetic isotope effect (KIE) on the β-H elimination was found to hinder the transfer of deuterium atoms to the metal centre. As such, abundant even-numbered isotopomers were observed in the GC-MS spectrum while odd-numbered products only occupied a small portion. The presence of the KIE has a significant effect on the distribution of isotopomers. The Cossee–Arlman catalytic cycle with a strong KIE may lead to unnoticeable H/D scrambling and for this reason the analysis of isotopic product peaks in C2H4/C2D4 co-oligomerization should be taken with good care.
Related Literature
Electronic properties of PbX3CH3NH3 (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications
Sigismund Teunis Alexander George Melissen, Frédéric Labat, Philippe Sautet, Tangui Le Bahers
DOI: 10.1039/C4CP04666H
Nano-design of quantum dot-based photocatalysts for hydrogen generation using advanced surface molecular chemistry
Dalal Noureldine, Tayirjan Isimjan, Bin Lin, Silvano Del Gobbo, Mutalifu Abulikemu, Mohamed Nejib Hedhili, Dalaver H. Anjum, Kazuhiro Takanabe
DOI: 10.1039/C4CP04365K
Exploring the complexity of quantum control optimization trajectories
Arun Nanduri, Ofer M. Shir, Ashley Donovan, Tak-San Ho, Herschel Rabitz
DOI: 10.1039/C4CP03853C
Illuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy
Charles S. Spanjers, Thomas P. Senftle, Adri C. T. van Duin, Michael J. Janik, Anatoly I. Frenkel, Robert M. Rioux
DOI: 10.1039/C4CP02146K
Using beryllium bonds to change halogen bonds from traditional to chlorine-shared to ion-pair bonds
Ibon Alkorta, José Elguero, Otilia Mó, Manuel Yáñez, Janet E. Del Bene
DOI: 10.1039/C4CP04574B
Formation of dibenzofuran, dibenzo-p-dioxin and their hydroxylated derivatives from catechol
Mohammednoor Altarawneh, Bogdan Z. Dlugogorski
DOI: 10.1039/C4CP04168B
Modulation of physical properties of supramolecular hydrogels based on a hydrophobic core
Masashi Ohno, Shun Fujita, Kowichiro Saruhashi, Nobuhide Miyachi, Katsuaki Miyaji
DOI: 10.1039/C4CP04395B
Magnetic and geometric anisotropy in particle-crosslinked ferrohydrogels
Lisa Roeder, Philipp Bender, Matthias Kundt, Andreas Tschöpe, Annette M. Schmidt
DOI: 10.1039/C4CP04493B
Measurement and PC-SAFT modelling of three-phase behaviour
Iago Rodríguez-Palmeiro, Oscar Rodríguez, Ana Soto, Christoph Held
DOI: 10.1039/C4CP04336G
Thermodynamic and kinetic characterization of transmembrane helix association
Aiswarya B. Pawar, Sneha A. Deshpande, Srinivasa M. Gopal, Tsjerk A. Wassenaar, Chaitanya A. Athale, Durba Sengupta
DOI: 10.1039/C4CP03732D
You might also like
What is Ethyl 3-cyclohexylpropanoate (CAS: 10094-36-7)?
Ethyl 3-cyclohexylpropanoate is a clear, colorless to light yellow liquid with a...
How should waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)nicotinic acid (CAS: 34783-31-8) be handled?
Waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl...
How should waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) be handled?
Waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) sho...
What precautions should be taken when handling Chloroac-nle-oh (CAS: 56787-36-1)?
When handling Chloroac-nle-oh (CAS: 56787-36-1), it is essential to wear appropr...
What industries use Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 752244-05-6)?
Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate is primarily used in the...
Are there alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis?
Alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis ...
How should waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) be handled?
Waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) should be managed...
What industries use 1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9)?
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9) is used in various ...
Are there alternatives to 3-Bromo-5-(N-Boc)aminomethylisoxazole (CAS: 903131-45-3) in synthesis?
There are alternative reagents and compounds that can be used in the synthesis o...
What is Tungsten(IV) oxide (CAS: 12036-22-5)?
Tungsten(IV) oxide, also known as tungsten dioxide, is a chemical compound with ...
Source Journal
Catalysis Science & Technology

Catalysis Science & Technology is committed to publishing research reporting high-quality, cutting-edge developments across the catalysis community at large. The journal places equal focus on publications from the heterogeneous, homogeneous, thermo-, electro-, photo-, organo- and biocatalysis communities. Works published in the journal feature a balanced mix of fundamental, technology-oriented, experimental, computational, digital and data-driven original research, thus appealing to catalysis practitioners in both academic and industrial environments. Original research articles published in the journal must demonstrate new catalytic discoveries and/or methodological advances that represent a significant advance on previously published work, from the molecular to the process scales. We welcome rigorous research in a wide range of timely or emerging applications related to the environment, health, energy and materials. Catalysis Science & Technology publishes Communications, Articles, Reviews and Perspectives. More details regarding manuscript types may be found in the Information for Authors section.










![2-Bromodibenzo[b,d]furan structure 2-Bromodibenzo[b,d]furan structure](https://static.chemtradehub.com/structs/86-/86-76-0-1814.webp)



