DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry

Author(s):  
Martín Jaraíz
Keyword(s):  
2021 ◽  
Author(s):  
Sujoy Rana ◽  
Jyoti Prasad Biswas ◽  
Sabarni Paul ◽  
Aniruddha Paik ◽  
Debabrata Maiti

The promising aspects of iron in synthetic chemistry are being explored for three-four decades as a green and eco-friendly alternative to late transition metals. This present review unveils these rich iron-chemistry towards different transformations.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Chengshuo Shen ◽  
Guoli Zhang ◽  
Yongle Ding ◽  
Na Yang ◽  
Fuwei Gan ◽  
...  

AbstractNanographenes are emerging as a distinctive class of functional materials for electronic and optical devices. It is of remarkable significance to enrich the precise synthetic chemistry for these molecules. Herein, we develop a facile strategy to recompose helicenes into chiral nanographenes through a unique oxidative cyclo-rearrangement reaction. Helicenes with 7~9 ortho-fused aromatic rings are firstly oxidized and cyclized, and subsequently rearranged into nanographenes with an unsymmetrical helicoid shape through sequential 1,2-migrations. Such skeletal reconstruction is virtually driven by the gradual release of the strain of the highly distorted helicene skeleton. Importantly, the chirality of the helicene precursor can be integrally inherited by the resulting nanographene. Thus, a series of chiral nanographenes are prepared from a variety of carbohelicenes and heterohelicenes. Moreover, such cyclo-rearrangement reaction can be sequentially or simultaneously associated with conventional oxidative cyclization reactions to ulteriorly enrich the geometry diversity of nanographenes, aiming at innovative properties.


2021 ◽  
Author(s):  
Zhi Liu ◽  
Zhengwei Ding† ◽  
Kai Chen ◽  
Ming Xu ◽  
Tao Yu ◽  
...  

The fruitful advancement in synthetic chemistry of the title families of complex diterpenes has stimulated and enjoyed strategic balance between building the skeletons and installing the functional groups.


2003 ◽  
Vol 39 (4) ◽  
pp. 152-156
Author(s):  
Ryoki NOMURA

1981 ◽  
Vol 58 (6) ◽  
pp. 503
Author(s):  
Terry I. Quickenden
Keyword(s):  

2021 ◽  
Author(s):  
Charlotte Crowe ◽  
Samuel Molyneux ◽  
Sunil V. Sharma ◽  
Ying Zhang ◽  
Danai S. Gkotsi ◽  
...  

An overview of enzymatic tools for generation of carbon–halogen bonds and their use in enabling selective C–H functionalisation through combination of enzyme and chemo catalysis.


Synthesis ◽  
2021 ◽  
Author(s):  
Yang Xiong ◽  
Sijia Li ◽  
Haijing Xiao ◽  
Guozhu Zhang

In recent years, visible-light-mediated copper photocatalysis have emerged as an attractive strategy for the diverse constructions of basic bonds in an ecologically benign and cost-effective fashion. The intense activity and increasing work of these areas stimulated the exploit of the distinctive properties of copper photocatalysis and the rapid development and expansion of their applications. In this review, we focus on introducing a series of significant achievements in copper complexes as standalone photocatalysis in organic reactions to make an attempt to exhibit their potential capabilities and high flexibilities in synthetic chemistry.


2021 ◽  
Vol 08 ◽  
Author(s):  
Yogesh B. Wagh ◽  
Dipak S. Dalal

Background: Microwave-assisted domino cyclization reactions have attracted great interest for researchers to synthesize complex compounds in shorter times with increase yields. The domino reactions were used in various synthetic approaches and many drug deliveries in medicinal chemistry with microwave assisted approach. Methods: Microwave irradiation has been applied for the various domino reactions. The research related to microwave assisted domino cyclization was reviewed and the important methodologies are collected from 2011-2021. Results: Only those methodologies that involve microwave-assisted domino cyclization reactions during synthesis in a related manner have been reviewed. Along with some recent syntheses that are microwave-assisted regarding new heterocyclic moieties are summarized. Conclusion: Microwave-assisted domino cyclization reactions can be employed to quickly explore and increase molecular diversity in synthetic chemistry. We hope that this review will be helpful to find out complex molecule synthesis by microwave-assisted domino cyclization reactions. This review aimed to explain the applications of microwaves for the domino reactions from 2011-2021. In this respect, the microwave mediated methods help researchers to make helpful studies.


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