Lewis Acid Behavior of SF4: Synthesis, Characterization, and Computational Study of Adducts of SF4with Pyridine and Pyridine Derivatives

2015 ◽  
Vol 21 (16) ◽  
pp. 6247-6256 ◽  
Author(s):  
Praveen Chaudhary ◽  
James T. Goettel ◽  
Hélène P. A. Mercier ◽  
Shahin Sowlati-Hashjin ◽  
Paul Hazendonk ◽  
...  
Keyword(s):  
Lewis Acid ◽  
Computational Study ◽  
Pyridine Derivatives

Recent progress in Lewis acid-Lewis base bifunctional asymmetric catalysis

2005 ◽  
Vol 77 (12) ◽  
pp. 2047-2052 ◽  
Author(s):  
Motomu Kanai ◽  
Nobuki Kato ◽  
Eiko Ichikawa ◽  
Masakatsu Shibasaki
Keyword(s):  
Asymmetric Catalysis ◽  
Lewis Acid ◽  
Recent Progress ◽  
Lewis Base ◽  
Pyridine Derivatives ◽  
Asymmetric Catalysts ◽  
Strecker Reaction

Two enantioselective cyanation reactions, the Strecker reaction of ketoimines and the Reissert reaction of pyridine derivatives, promoted by Lewis acid-Lewis base bifunctional asymmetric catalysts are described.

scholarly journals Copper(i)-carbenes as key intermediates in the [3 + 2]-cyclization of pyridine derivatives with alkenyldiazoacetates: a computational study

2019 ◽  
Vol 17 (3) ◽  
pp. 646-654 ◽  
Author(s):  
Luis A. López ◽  
Javier González
Keyword(s):  
Computational Study ◽  
Cyclization Reaction ◽  
Regioselective Synthesis ◽  
Pyridine Derivatives

This work reports a computational study of the copper(i)-catalyzed regioselective synthesis of indolizine derivatives through the [3 + 2]-cyclization reaction of vinyldiazo acetates and pyridine derivatives.

Mechanistic insights into the full hydrogenation of 2,6-substituted pyridine catalyzed by the Lewis acid C6F5(CH2)2B(C6F5)2

2015 ◽  
Vol 44 (19) ◽  
pp. 9200-9208 ◽  
Author(s):  
Jiyang Zhao ◽  
Guoqiang Wang ◽  
Shuhua Li
Keyword(s):  
Lewis Acid ◽  
Computational Study ◽  
Ion Pair

A computational study indicates that the pyridinium hydridoborate ion pair is the key intermediate for the full hydrogenation of 2,6-substituted pyridine catalyzed by the Lewis acid C6F5(CH2)2B(C6F5)2.

A computational study on the reaction mechanisms of N-formylation of amines under a Lewis acid catalysis

2010 ◽  
Vol 951 (1-3) ◽  
pp. 89-92 ◽  
Author(s):  
Donghui Wei ◽  
Chengxing Cui ◽  
Zhibo Qu ◽  
Yanyan Zhu ◽  
Mingsheng Tang
Keyword(s):  
Lewis Acid ◽  
Reaction Mechanisms ◽  
Acid Catalysis ◽  
Computational Study ◽  
Lewis Acid Catalysis

Triggering the approach of an arene or heteroarene towards an aldehyde via Lewis acid–aldehyde communication

2016 ◽  
Vol 14 (10) ◽  
pp. 2854-2865 ◽  
Author(s):  
Sanjay Pratihar
Keyword(s):  
Lewis Acid ◽  
Computational Study ◽  
Alcohol Formation

A combined experimental/computational study of the Lewis acid promoted hydroxyalkylation reaction involving aldehyde and arene/heteroarene reveals a mechanism in which the rate determining aldehyde to alcohol formation involves a transfer of hydrogen and the breaking of the C–H bond and formation of C–C and O–H bonds.

Distribution of Al and adsorption of NH3 and pyridine in ZSM-12: a computational study

2013 ◽  
Vol 91 (10) ◽  
pp. 925-934 ◽  
Author(s):  
Gang Feng ◽  
Ying-Ying Lian ◽  
Deqin Yang ◽  
Jianwen Liu ◽  
Dejin Kong
Keyword(s):  
Density Functional Theory ◽  
Lewis Acid ◽  
Density Functional ◽  
Computational Study ◽  
Energy Difference ◽  
Acid Sites ◽  
Main Channel ◽  
Lewis Acid Sites ◽  
Small Energy ◽  
Functional Theory

The distribution of Al and the adsorption of NH3 and pyridine in both Na-form and H-form ZSM-12 were investigated using dispersion-corrected density functional theory. It was found that the energy differences for Al atoms in the different T sites of ZSM-12 (both H form and Na form) were less than 0.3 eV, which indicates that the Al atoms could distribute in all kinds of T sites in ZSM-12. In addition, the small energy difference indicates that both H and Na atoms could stay in either the small cage or the main channel of ZSM-12. The adsorption of NH3 and pyridine on NaZSM-12 is weak, while the adsorption of NH3 and pyridine on HZSM-12 is strong, as they could form NH4+ and NC5H6+ species in the presence of protons. Both NH3 and pyridine could adsorb on the Lewis Al3+ sites in HZSM-12, while the adsorption of NH3 and pyridine on the Lewis acid sites are less stable than on the Brønsted acid sites of ZSM-12.

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