scholarly journals Differences between the elimination of early and late transition metals: DFT mechanistic insights into the titanium-catalyzed synthesis of pyrroles from alkynes and diazenes

2017 ◽  
Vol 8 (3) ◽  
pp. 2413-2425 ◽  
Author(s):  
Jiandong Guo ◽  
Xi Deng ◽  
Chunyu Song ◽  
Yu Lu ◽  
Shuanglin Qu ◽  
...  

A DFT study demonstrates that titanium is capable of promoting C–N bond formation via an unconventional reductive elimination pathway featuring back-donation (REBD).

2020 ◽  
Vol 39 (8) ◽  
pp. 1339-1347 ◽  
Author(s):  
Diego García-López ◽  
Ljiljana Pavlovic ◽  
Kathrin H. Hopmann

Molecules ◽  
2017 ◽  
Vol 22 (11) ◽  
pp. 1901 ◽  
Author(s):  
Sophie Bezzenine-Lafollée ◽  
Richard Gil ◽  
Damien Prim ◽  
Jérôme Hannedouche

2008 ◽  
Vol 14 (35) ◽  
pp. 11222-11230 ◽  
Author(s):  
Israel Fernández ◽  
María J. Mancheño ◽  
Rubén Vicente ◽  
Luis A. López ◽  
Miguel A. Sierra

2018 ◽  
Vol 8 (6) ◽  
pp. 1555-1563 ◽  
Author(s):  
Lang Xu ◽  
Eric E. Stangland ◽  
Manos Mavrikakis

Chlorine coverage and its impact on 1,2-dichloroethane hydrodechlorination over ten late transition metals, predicted using DFT-based phase diagrams.


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.


Nanoscale ◽  
2020 ◽  
Vol 12 (9) ◽  
pp. 5324-5331 ◽  
Author(s):  
Sangjin Lee ◽  
Sung Chul Jung ◽  
Young-Kyu Han

Using late transition metals and sulfur termination groups for MXene leads to 104-fold increase in Al-ion transport and 2.2-fold increase in Al-ion capacity, respectively.


2016 ◽  
Vol 16 (5) ◽  
pp. 2314-2323 ◽  
Author(s):  
Fumiyuki Ozawa ◽  
Yumiko Nakajima

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