Computational approach to molecular catalysis by 3d transition metals: challenges and opportunities

KD Vogiatzis, MV Polynski, JK Kirkland… - Chemical …, 2018 - ACS Publications
Computational chemistry provides a versatile toolbox for studying mechanistic details of
catalytic reactions and holds promise to deliver practical strategies to enable the rational in …

Carbon dioxide reduction with homogenous early transition metal complexes: Opportunities and challenges for developing CO2 catalysis

KA Grice - Coordination Chemistry Reviews, 2017 - Elsevier
The field of carbon dioxide reduction by homogeneous early transition complexes (groups 3–
7) is reviewed. Many reactions with CO 2 have been studied with late transition metal …

Recent advances in cooperative activation of CO 2 and N 2 O by bimetallic coordination complexes or binuclear reaction pathways

S Sinhababu, Y Lakliang, NP Mankad - Dalton Transactions, 2022 - pubs.rsc.org
The gaseous small molecules, CO2 and N2O, play important roles in climate change and
ozone layer depletion, and they hold promise as underutilized reagents and chemical …

Carbon dioxide complexes: Bonding modes and synthetic methods

A Paparo, J Okuda - Coordination Chemistry Reviews, 2017 - Elsevier
A critical survey on the literature on CO 2 metal complexes is provided. A re-evaluation of all
known CO 2 complexes reveals the existence of several bonding modes, which have not …

Redox chemistry of discrete low-valent titanium complexes and low-valent titanium synthons

S Fortier, A Gomez-Torres - Chemical Communications, 2021 - pubs.rsc.org
Titanium is a versatile metal that has important applications in practical synthesis, though
this is typically limited to stoichiometric reactions or Lewis acid catalysis. Recently, interest …

Bonding in pentalene complexes and their recent applications

FGN Cloke, JC Green, AFR Kilpatrick… - Coordination Chemistry …, 2017 - Elsevier
Molecular orbital (MO) theory is used to describe the bonding in transition metal pentalene
complexes in a variety of its coordination modes. The various MO models account for …

Molecular Capacitors: Accessible 6-and 8-Electron Redox Chemistry from Dimeric “Ti (I)” and “Ti (0)” Synthons Supported by Imidazolin-2-Iminato Ligands

A Gomez-Torres, N Mavragani… - Inorganic …, 2022 - ACS Publications
Reduction of the diamagnetic Ti (III)/Ti (III) dimer [Cl2Ti (μ-NImDipp)] 2 (1)(NImDipp=[1, 3-bis
(Dipp) imidazolin-2-iminato]−, Dipp= C6H3-2, 6-i Pr2) with 4 and 6 equiv of KC8 generates …

Dinitrogen functionalization with carbon dioxide and carbon disulfide giving symmetric and unsymmetric hydrazido complexes

Y Ishida, S Hasegawa… - Angewandte Chemie …, 2023 - Wiley Online Library
Here we show that a tridentate bis (aryloxide) anilide‐ligated titanium/potassium scaffold
promotes functionalization of coordinated N2 with CO2 and CS2 through formation of N− C …

Titanium and Zirconium Permethylpentalene Complexes, Pn*MCpRX, as Ethylene Polymerization Catalysts

DAX Fraser, ZR Turner, JC Buffet, D O'Hare - Organometallics, 2016 - ACS Publications
A family of group 4 permethylpentalene complexes, Pn* MCpRX (M= Ti, Zr; CpR= Cp, CpMe,
CptBu, CpnBu, CpMe3, Ind; X= Cl, Me), has been synthesized and fully characterized by …

Trapping CS22– and S32– between Two Ytterbium Formamidinates

D Werner, GB Deacon, PC Junk - Inorganic Chemistry, 2019 - ACS Publications
Treatment of [YbII (DippForm) 2 (thf) n](n= 2 (1aYb), n= 1 (1bYb); DippForm= N, N′-bis (2, 6-
diisopropylphenyl) formamidinate), with either excess CS2 or S8 gives [YbIII2 (DippForm) 4 …