scholarly journals Primary Anion−π Catalysis and Autocatalysis

2018 ◽  
Vol 140 (51) ◽  
pp. 17867-17871 ◽  
Author(s):  
Xiang Zhang ◽  
Xiaoyu Hao ◽  
Le Liu ◽  
Anh-Tuan Pham ◽  
Javier López-Andarias ◽  
...  
Keyword(s):  
Primary Anion

Properties of electrochemically generated primary anion radicals of 2,5-dimethyl-1-nitrophenylpyrroles

1981 ◽  
Vol 46 (10) ◽  
pp. 2494-2502 ◽  
Author(s):  
Pavel Kubáček
Keyword(s):  
Nitrogen Atom ◽  
Carbon Atom ◽  
Anion Radical ◽  
Platinum Electrode ◽  
Spin Population ◽  
Kinetics Of Decomposition ◽  
Primary Anion ◽  
Stable Anion ◽  
Kinetics Of ◽  
Anion Radicals

The first step of electrochemical reduction of 2,5-dimethyl-1-nitrophenylpyrroles on a platinum electrode in anhydrous acetonitrile consists in an one-electron process producing relatively stable anion radicals. The prediction based on HMO calculations concerning an almost complete localization of the LFMO in the nitrophenyl part of the studied molecules is fully confirmed by means of EPR spectroscopy. Magnitude of the found proton splitting constants is very close to the values found for anion radical of nitrobenzene. The splitting by nucleus of nitrogen atom of pyrrole cycle can be explained exclusively by the mechanism of π-σ spin polarization of σ C-N bond and by the spin population at the carbon atom. The EPR method has also been used for following the kinetics of decomposition of anion radicals of the molecules studied.

Formation of large clusters of CO2 around anions: DFT study reveals cooperative CO2 adsorption

2019 ◽  
Vol 21 (41) ◽  
pp. 23143-23153 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu H. Suresh
Keyword(s):  
Co2 Adsorption ◽  
Dft Study ◽  
Anionic Clusters ◽  
Secondary Interactions ◽  
Primary Anion ◽  
Large Clusters

The cooperative O⋯C secondary interactions compensate for the diminishing effect of primary anion⋯C interactions in anionic clusters of CO2 molecules.

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