Theoretical study of the cis–trans isomerization mechanism of a pendant metal-bound azobenzene

RSC Advances ◽  
2016 ◽  
Vol 6 (83) ◽  
pp. 79879-79889 ◽  
Author(s):  
Ting-Ting Yin ◽  
Zeng-Xia Zhao ◽  
Hong-Xing Zhang
Keyword(s):  
Theoretical Study ◽  
Rhenium Complexes ◽  
Trans Isomerization ◽  
Isomerization Mechanism

Theoretical study of the cis–trans isomerization mechanism of azobenzene substituents in rhenium complexes.

scholarly journals Theoretical study on the reaction mechanism of the thermal cis–trans isomerization of fluorine-substituted azobenzene derivatives

RSC Advances ◽  
2018 ◽  
Vol 8 (21) ◽  
pp. 11580-11588 ◽  
Author(s):  
Xiao-Mei Liu ◽  
Xing-Yi Jin ◽  
Zhi-Xiang Zhang ◽  
Jian Wang ◽  
Fu-Quan Bai
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Study ◽  
Thermal Isomerization ◽  
Trans Isomerization ◽  
Azobenzene Derivatives

Quantum chemical calculations of a set of valid photoswitches of azobenzene compounds, with the aim of describing their thermal isomerization.

Theoretical study on thermal cis -to- trans isomerization of BF 2 -coordinated azo compounds of the para-substitution with electron donating groups

2016 ◽  
Vol 129 ◽  
pp. 100-108 ◽  
Author(s):  
Yong-Peng Wang ◽  
Zhi-Xiang Zhang ◽  
Miao Xie ◽  
Fu-Quan Bai ◽  
Pi-Xia Wang ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Azo Compounds ◽  
Trans Isomerization ◽  
Electron Donating Groups

Theoretical study on the thermal cis - Trans isomerization of novel acylhydrazone photoswitches

2017 ◽  
Vol 48 ◽  
pp. 154-164 ◽  
Author(s):  
Ting-Ting Yin ◽  
Zeng-Xia Zhao ◽  
Li-Ying Yu ◽  
Hong-Xing Zhang
Keyword(s):  
Theoretical Study ◽  
Trans Isomerization

The secondary α-deuterium isotope effect at the site of the enzyme-catalyzed cis-trans isomerization of maleylacetone. Mechanistic implications

1999 ◽  
Vol 77 (5-6) ◽  
pp. 557-564
Author(s):  
Michael S Finnin ◽  
Stanley Seltzer
Keyword(s):  
Isotope Effect ◽  
Nucleophilic Addition ◽  
Single Bond ◽  
Glutathione System ◽  
Competitive Reaction ◽  
Deuterium Isotope Effect ◽  
Detailed Mechanism ◽  
H Nmr ◽  
Trans Isomerization ◽  
Isomerization Mechanism

An equal mixture of monodeuterated isotopomers of maleylacetone, viz., 4-hydroxy-6-oxo-2,4-heptadienoic-2-d1 acid (1) and 4-hydroxy-6-oxo-2,4-heptadienoic-3-d1 acid (2) was synthesized and subjected to catalyzed cis-trans isomerization by the maleylacetoacetate cis-trans isomerase-glutathione system. These studies were designed to probe the detailed mechanism of enzyme-catalyzed cis-trans isomerization about the C-2—C-3 bond of the substrate. In the competitive reaction, 2 accumulates with respect to 1 at high extent of reaction. 1H NMR analysis indicates that 1 reacts 15% faster than 2 in line with a nucleophilic addition mechanism at C-2 rather than a conjugate addition mechanism at C-2 and C-3, to convert the C-2—C-3 double bond to a single bond to allow facile internal rotation.Key words: enzyme-catalyzed cis-trans isomerization, secondary α-deuterium isotope effect, maleylacetoacetate cis-trans isomerase, cis-trans isomerization mechanism.

Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study

2018 ◽  
Vol 366 ◽  
pp. 300-309 ◽  
Author(s):  
Duo Wei ◽  
Omar Sadek ◽  
Vincent Dorcet ◽  
Thierry Roisnel ◽  
Christophe Darcel ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Rhenium Complexes
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