The potential of d⁶ non-noble metal NHC catalysts for carbon dioxide hydrogenation: group and row effects

Abstract

A series of d6 non-noble transition metal complexes are designed and studied computationally for the hydrogenation of CO2 to formic acid. Catalysts with a metal of weaker electronegativity and lower...

Explaining the Advantageous Impact of Tertiary versus Secondary Nitrogen Center on the Activity of PNP‐Pincer Co(I)‐Complexes for Catalytic Hydrogenation of CO2

“…Considering CO 2 as a C1 block source also helps in controlling the amount of this green house gas in the environment. However, this reaction is subjected to detailed studies [1–4] for the last few decades due to the inert nature of CO 2 .…”

Tungsten‐Catalyzed Direct N‐Alkylation of Anilines with Alcohols

“…Driven by previous studies in BH/HA reactions that earlier transition metal manganese incorporated with strong donor ligands showed advantages in reactivity and mild reaction conditions, [10] and encouraged by our theoretical understanding, [11] we envision the tungsten, which is an earlier transition metal than manganese, as well as a third‐row transition metal with much higher abundance with respect to noble metals, [12] could be an appealing candidate in the design of new type of non‐noble metal catalysts for BH/HA reactions. As part of our ongoing efforts, herein, we would like to disclose the first W‐catalyzed direct N ‐alkylation of amines with alcohols.…”

Selective C‐alkylation Between Alcohols Catalyzed by N‐Heterocyclic Carbene Molybdenum

“…Based on our experience in BH reactions with Mn(I) complexes, d 6 transition metal complexes with phosphine‐free and strong electron‐donating N ‐heterocyclic carbene (NHC) ligands showed capacity in achieving potent BH transformations [26] . Although the d 6 Mo(0) complexes can be regarded as a potential candidate to develop and enrich the application of d 6 transition metal catalysts, [27] the desired C ‐alkylation between alcohols via BH by Mo(0) catalysis has not been disclosed yet to the best of our knowledge. Herein, we demonstrate the first implementation of the NHC‐Mo(0) complex as a remarkably active and selective catalyst for the β‐alkylation of secondary alcohols using alcohols as alkylating agents via BH strategy (Scheme 1b).…”