Advances on the merger of electrochemistry and transition metal catalysis for organic synthesis

CA Malapit, MB Prater, JR Cabrera-Pardo, M Li… - Chemical …, 2021 - ACS Publications
Synthetic organic electrosynthesis has grown in the past few decades by achieving many
valuable transformations for synthetic chemists. Although electrocatalysis has been popular …

Transition metal catalysis controlled by hydrogen bonding in the second coordination sphere

JNH Reek, B de Bruin, S Pullen, TJ Mooibroek… - Chemical …, 2022 - ACS Publications
Transition metal catalysis is of utmost importance for the development of sustainable
processes in academia and industry. The activity and selectivity of metal complexes are …

Cross-dehydrogenative coupling: a sustainable reaction for C–C bond formations

T Tian, Z Li, CJ Li - Green Chemistry, 2021 - pubs.rsc.org
We are entering an era that emphasizes greenness and sustainability. Based on such a
philosophy, it is critical to uncover novel and original sustainable reaction modes for future …

Analyzing reaction rates with the distortion/interaction‐activation strain model

FM Bickelhaupt, KN Houk - Angewandte Chemie International …, 2017 - Wiley Online Library
The activation strain or distortion/interaction model is a tool to analyze activation barriers that
determine reaction rates. For bimolecular reactions, the activation energies are the sum of …

Computational ligand descriptors for catalyst design

DJ Durand, N Fey - Chemical reviews, 2019 - ACS Publications
Ligands, especially phosphines and carbenes, can play a key role in modifying and
controlling homogeneous organometallic catalysts, and they often provide a convenient …

SambVca 2. A web tool for analyzing catalytic pockets with topographic steric maps

L Falivene, R Credendino, A Poater, A Petta… - …, 2016 - ACS Publications
Developing more efficient catalysts remains one of the primary targets of organometallic
chemists. To accelerate reaching this goal, effective molecular descriptors and visualization …

Forever young: the first seventy years of ferrocene

P Štěpnička - Dalton Transactions, 2022 - pubs.rsc.org
The discovery of ferrocene,[Fe (η5-C5H5) 2], seventy years ago has significantly influenced
chemical research and provided a key impetus for establishing and rapidly expanding …

Predictive and mechanistic multivariate linear regression models for reaction development

CB Santiago, JY Guo, MS Sigman - Chemical science, 2018 - pubs.rsc.org
Multivariate Linear Regression (MLR) models utilizing computationally-derived and
empirically-derived physical organic molecular descriptors are described in this review …

Support effects in single-atom platinum catalysts for electrochemical oxygen reduction

S Yang, YJ Tak, J Kim, A Soon, H Lee - Acs Catalysis, 2017 - ACS Publications
Single-atom catalysts (SACs) provide an ideal platform for reducing noble-metal usage.
SACs also exhibit unusual catalytic properties due to the absence of a metal surface. The …

The Cross‐Dehydrogenative Coupling of C H Bonds: A Versatile Strategy for C C Bond Formations

SA Girard, T Knauber, CJ Li - … Chemie International Edition, 2014 - Wiley Online Library
Over the last decade, substantial research has led to the introduction of an impressive
number of efficient procedures which allow the selective construction of C C bonds by …