Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1, 4-disubstituted 1, 2, 3-triazoles
The current study delves into the mechanistic intricacies of azide-alkyne cycloaddition
reactions (MAAC) catalyzed by transition metals (M= Cu, Ag, and Au) bound to N …
reactions (MAAC) catalyzed by transition metals (M= Cu, Ag, and Au) bound to N …
Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3+ 2] cycloaddition reactions: A computational investigation
This study investigated the catalytic behavior of NHC-X ligands (X= F, Cl, Br, I) in
cycloaddition reactions, focusing on both mononuclear and binuclear pathways. Using NCI …
cycloaddition reactions, focusing on both mononuclear and binuclear pathways. Using NCI …
Exploring the potential of metal-catalysis with N, N-type ligands in [3+ 2] cycloaddition reactions of azides and alkynes using theoretical tools
In this study, we meticulously analyzed the catalysis of azide-alkyne [3+ 2] cycloaddition
reactions facilitated by metal-complexes with N, N-type ligands using MN12-L functional with …
reactions facilitated by metal-complexes with N, N-type ligands using MN12-L functional with …
Silver-and gold-catalyzed azide− alkyne cycloaddition by functionalized NHC-based polynuclear catalysts: Computational investigation and mechanistic insights
This study evaluated the catalytic efficiency of Au (I), Ag (I), and Cu (I) complexes in the
azide‒alkyne cycloaddition (AAC) reaction through density functional theory (DFT) …
azide‒alkyne cycloaddition (AAC) reaction through density functional theory (DFT) …
Computational study on novel RhCp X (X= CF 3, SiF 3, CCl 3, SO 3 H) as promising catalysts in the [3+ 2] azide–alkyne cycloaddition reaction: insights into …
This computational study investigated the catalytic efficiency of novel RhCpX complexes (X=
CF3, SiF3, CCl3, SO3H) in [3+ 2] azide–alkyne cycloaddition reactions via density functional …
CF3, SiF3, CCl3, SO3H) in [3+ 2] azide–alkyne cycloaddition reactions via density functional …
Copper-bonded polyoxomolybdates-based framework as a heterogeneous catalyst for the cascade click reaction and bromination
S Fu, G Liu, S Liu, Z Gao, S Tao, Y Peng, N **n… - Molecular …, 2024 - Elsevier
The selective conversion of alkynes into bromotriazoles over a single-component catalyst is
highly desirable but presents significant challenges. In this study, we developed a robust …
highly desirable but presents significant challenges. In this study, we developed a robust …
Mechanistic and enantioselectivity analysis of amino acid-catalyzed asymmetric aldol reactions: a theoretical study
CX Yan, DF Li, LJ Yang, LX Fu, XQ Hua - Reaction Kinetics, Mechanisms …, 2025 - Springer
In this work, we theoretically studied the asymmetric aldol reactions between acetone and p-
NO2PhCHO catalyzed by (S)-proline,(S)-azetidine-2-carboxylic acid,(S)-pipecolic acid, L …
NO2PhCHO catalyzed by (S)-proline,(S)-azetidine-2-carboxylic acid,(S)-pipecolic acid, L …