Effect of chelating ring size in catalytic ketone hydrogenation: facile synthesis of ruthenium(ii) precatalysts containing an N-heterocyclic carbene with a primary amine donor for ketone hydrogenation and a DFT study of mechanisms

2012 ◽  
Vol 41 (29) ◽  
pp. 8797 ◽  
Author(s):  
Hisashi Ohara ◽  
Wylie W. N. O ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Primary Amine ◽  
Dft Study ◽  
Ring Size ◽  
Facile Synthesis ◽  
Ketone Hydrogenation

Unusual oxidative stability of a multidentate primary amine ligand: facile synthesis of the oxo-bridged diiron(III) complex

2004 ◽  
Vol 7 (6) ◽  
pp. 773-776 ◽  
Author(s):  
Jesús Pitarch López ◽  
Frank W. Heinemann ◽  
Andreas Grohmann ◽  
Olivier Horner ◽  
Jean-Mare Latour ◽  
...  
Keyword(s):  
Oxidative Stability ◽  
Primary Amine ◽  
Facile Synthesis ◽  
Amine Ligand

scholarly journals Effect of ring rize on photoisomerization properties of stiff stilbene macrocycles

2019 ◽  
Vol 15 ◽  
pp. 2408-2418 ◽  
Author(s):  
Sandra Olsson ◽  
Óscar Benito Pérez ◽  
Magnus Blom ◽  
Adolf Gogoll
Keyword(s):  
Dft Calculations ◽  
Energy Difference ◽  
Carbon Chain ◽  
Experimental Results ◽  
Dft Study ◽  
Ring Size ◽  
Flexible Chain ◽  
Photochemical Properties

A series of stiff stilbene macrocycles have been studied to investigate the possible impact of the macrocycle ring size on their photodynamic properties. The results show that reducing the ring size counteracts the photoisomerization ability of the macrocycles. However, even the smallest macrocycle studied (stiff stilbene subunits linked by a six carbon chain) showed some degree of isomerization when irradiated. DFT calculations of the energy differences between the E- and Z-isomers show the same trend as the experimental results. Interestingly the DFT study highlights that the energy difference between the E- and Z-isomers of even the largest macrocycle (linked by a twelve carbon chain) is significantly higher than that of the stiff stilbene unit itself. In general, it is indicated that addition of even a flexible chain to the stiff stilbene unit may significantly affect its photochemical properties and increase the photostability of the resulting macrocycle.

Ring-expanded iridium and rhodiumN-heterocyclic carbene complexes: a comparative DFT study of heterocycle ring size and metal center diversity

2017 ◽  
Vol 70 (7) ◽  
pp. 1270-1284 ◽  
Author(s):  
E. Ö. Karaca ◽  
M. Akkoç ◽  
E. Öz ◽  
S. Altin ◽  
V. Dorcet ◽  
...  
Keyword(s):  
Metal Center ◽  
Dft Study ◽  
Ring Size ◽  
Carbene Complexes

scholarly journals Facile synthesis of N-doped graphene encapsulated Pd@N/C catalyst and its efficient application in cascade flow synthesis of amines

2021 ◽  
Author(s):  
Jianguo Liu ◽  
Jiangmin Sun ◽  
Yanpei Song ◽  
Shanshan Lin ◽  
Longlong Ma
Keyword(s):  
Heterogeneous Catalyst ◽  
Primary Amine ◽  
Flow Reactor ◽  
Building Blocks ◽  
Primary Amines ◽  
Facile Synthesis ◽  
Flow Synthesis ◽  
Nitrogen Doped ◽  
Doped Graphene ◽  
Excellent Stability

Abstract N-methylamines, as an important class of chemicals, crucial building blocks, have been widely used in pharmaceutical companies and materials synthesis. Transition metal-catalyzed synthesis of N-methylamines, especially the heterogeneous catalyzed N-methylation of amines via different C1 sources has become the most promising methodology, due to the environmentally friendlier process and the recyclable and easily accessible catalysts. However, these reactions generally require activated toxic methyl iodide or dimethyl sulfoxide, and homogeneous catalysts or Raney nickel catalyst. The synthesis of amines still suffering from narrow scopes of amines, harsh reaction conditions, low selectivity of the desired products, and against the requirements of atomic economy and sustainable green environment. Herein, we developed a novel facile synthesis of nitrogen-doped graphene encapsulated Pd@NC nanocatalysts. The resulting heterogeneous catalyst was active for the synthesis of amines (more than 83 examples, yield up to 99%). The nitrogen-doped effect was unlike the previous report that poisoned the metal, it could increase the interaction with the active metal resulting in excellent stability. As far as we know, for the first time, the developed N-doped graphene encapsulated Pd@NC nanocatalyst showed excellent stability and activity of amines synthesis in the 20 times’ recycling test, industrially applicable flow reactor 2880 minutes’ test, and 99% purity of primary amine and tertiary amines product preparation test. Moreover, we have also shown the high atomic economy and environmentally friendlier tandem flow synthesis of N, N-dimethylamine products via the combination of reduction of nitrobenzene and N-methylation of amines, using the single one Pd@NC nanocatalyst with H2O as the only by-product. Upon our knowledge, this is a novel example of primary amine and tertiary amine synthesis methodology with the combined cascade reaction and flow process of nitrobenzene reduction and primary amines N-methylation with a single heterogeneous catalyst.

scholarly journals Intramolecular Hydroamination by a Primary Amine of an Unactivated Alkene on Gold Nanoclusters: A DFT Study

ChemCatChem ◽  
2017 ◽  
Vol 9 (24) ◽  
pp. 4450-4450
Author(s):  
Karan Bobuatong ◽  
Hidehiro Sakurai ◽  
Masahiro Ehara
Keyword(s):  
Primary Amine ◽  
Gold Nanoclusters ◽  
Dft Study

The removal of aqueous uranium by SBA-15 modified with phosphoramide: a combined experimental and DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (73) ◽  
pp. 68695-68704 ◽  
Author(s):  
Yiming Ren ◽  
Ruizhu Yang ◽  
Lang Shao ◽  
Hao Tang ◽  
Shaofei Wang ◽  
...  
Keyword(s):  
Primary Amine ◽  
Dft Study ◽  
Phosphoryl Chloride ◽  
Step Process

Phosphoramide-modified SBA-15 materials were prepared via a two-step process involving: (1) the synthesis of phosphoramide via amidation of phosphoryl chloride with a primary amine and (2) modification of the phosphoramide onto SBA-15.

Facile synthesis of controlled-structure primary amine-based methacrylamide polymers via the reversible addition-fragmentation chain transfer process

2008 ◽  
Vol 46 (15) ◽  
pp. 4984-4996 ◽  
Author(s):  
Zhicheng Deng ◽  
Hassen Bouchékif ◽  
Keshwaree Babooram ◽  
Abdelghani Housni ◽  
Nankishoresing Choytun ◽  
...  
Keyword(s):  
Transfer Process ◽  
Primary Amine ◽  
Chain Transfer ◽  
Facile Synthesis ◽  
Reversible Addition ◽  
Controlled Structure
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