scholarly journals DFT exploration of [3 + 2] cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate

RSC Advances ◽  
2018 ◽  
Vol 8 (48) ◽  
pp. 27406-27416 ◽  
Author(s):  
Dhanashree Hallooman ◽  
Mar Ríos-Gutiérrez ◽  
Lydia Rhyman ◽  
Ibrahim A. Alswaidan ◽  
Luis R. Domingo ◽  
...  
Keyword(s):  
Methyl Methacrylate ◽  
Cycloaddition Reaction ◽  
Phosphorus Containing ◽  
Nitrogen Analogues

These phosphorus cycloadducts are kinetically and thermodynamically more favorable than their nitrogen analogues, providing incentives to experimentalists in the quest to synthesise phosphorus containing heterocycles.

Phosphorus-containing polymers from THPS. VII. Synthesis of phosphorus-containing trialkynes and their metal-free 1,3-dipolar cycloaddition reaction with azidated soybean-oil

2016 ◽  
Vol 18 (5) ◽  
pp. 1278-1286 ◽  
Author(s):  
Gang Guo ◽  
Jian Sun ◽  
Chen Zhao ◽  
Yun Liu ◽  
Cheng-Mei Liu
Keyword(s):  
Soybean Oil ◽  
Cycloaddition Reaction ◽  
Environmentally Friendly ◽  
Dipolar Cycloaddition ◽  
Metal Free ◽  
Phosphorus Containing

A novel hydrolysis-resistant trialkyne, namely tris(prop-2-yn-1-yloxy methyl)phosphane oxide (TPOPO), was prepared from an environmentally friendly tetrakis(hydroxymethyl)phosphonium sulfate (THPS).

Origin of reversal of stereoselectivity for [4+2] cycloaddition reaction between cyclopentadiene and methyl methacrylate in the presence of the chloroloaluminate ionic liquid (1-ethyl-3-methyl-imidazolium chloride): in silico studies

2014 ◽  
Vol 92 (9) ◽  
pp. 862-867 ◽  
Author(s):  
Debashis Sahu ◽  
Manoj K. Kesharwani ◽  
Bishwajit Ganguly
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Methyl Methacrylate ◽  
Ion Pairs ◽  
Cycloaddition Reaction ◽  
Imidazolium Chloride ◽  
Imidazolium Cation ◽  
Activation Barriers ◽  
Bonding Effect ◽  
In Silico Studies

The origin of stereoselectivity for [4+2] cycloaddition reaction of methyl methacrylate with cyclopentadiene was investigated with the B3LYP-D3(BJ)/6-31+G(d)//B3LYP/6-31+G(d) level of theory in the presence of the ionic liquid 1-ethyl-3-methyl-imidazolium chloride (EMI+Cl–) and its acidic chloroaluminate melt, 1-ethyl-3-methyl-imidazolium heptachlorodialuminate (EMI+Al2Cl7–). The reaction of methyl methacrylate with cyclopentadiene was examined in the gas phase to rationalize the effect of the ionic liquid ion pairs EMI+Cl– and EMI+Al2Cl7–. The DFT calculated results were found to be in good agreement with the experimentally observed results. The much-discussed hydrogen bonding effect of the imidazolium cation with the dienophile is less important to govern the stereoselectivity for the cycloaddition reaction. The atoms in molecules theory was used to examine the role of hydrogen bonding between the EMI+ cation and methyl methacrylate in the transition state geometries. The calculated activation barriers with the M062X/6-31+G(d)//B3LYP/6-31+G(d) and MP2/6-311+G(d,p)//B3LYP/6-31+G(d) levels of theory also predict the similar exo/endo-stereoselectivity trend for the cycloaddition reactions.

scholarly journals Synthesis of fluorinated phosphorus-containing copolymers and their immobilization and properties on stainless steel

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 38189-38201
Author(s):  
Farzana Kousar ◽  
Stephen C. Moratti
Keyword(s):  
Stainless Steel ◽  
Free Radical ◽  
Methyl Methacrylate ◽  
Radical Polymerization ◽  
Phosphonic Acid ◽  
Potential Application ◽  
Free Radical Polymerization ◽  
Phosphorus Containing

A series of fluorinated-phosphonic acid methacrylates were synthesized by free radical polymerization using heptadecafluorodecyl methacrylate (HDFDMA) and (dimethoxyphosphoryl) methyl methacrylate (DMPMM) monomers for potential application as anti-corrosion coatings.

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