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 …

Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies of titanium (IV) Schiff base …

H Kargar, M Fallah-Mehrjardi… - Journal of …, 2021 - Taylor & Francis
A titanium (IV) Schiff base complex,[Ti (L) 2]· H2O, was synthesized by treating TiO (acac) 2
with an ONO-donor Schiff base ligand (H2L) derived from the condensation of 4 …

Titanium redox catalysis: insights and applications of an earth-abundant base metal

ZW Davis-Gilbert, IA Tonks - Dalton Transactions, 2017 - pubs.rsc.org
Titanium redox catalysis: insights and applications of an earth-abundant base metal - Dalton
Transactions (RSC Publishing) DOI:10.1039/C7DT02319G Royal Society of Chemistry View …

Titanium‐Catalyzed Intermolecular Hydroaminoalkylation of Alkenes with Tertiary Amines

D Geik, M Rosien, J Bielefeld… - Angewandte …, 2021 - Wiley Online Library
The first cationic titanium catalyst system for the intermolecular hydroaminoalkylation of
alkenes with various tertiary alkylamines is presented. Corresponding reactions which …

Intermolecular hydroaminoalkylation of alkynes

T Kaper, M Fischer, H Thye, D Geik… - … A European Journal, 2021 - Wiley Online Library
Intermolecular hydroaminoalkylation reactions of alkynes with secondary amines, which
selectively give access to allylic amines with E configuration of the alkene unit, are achieved …

In Situ Catalyst Generation and Benchtop-Compatible Entry Points for TiII/TiIV Redox Catalytic Reactions

ZW Davis-Gilbert, K Kawakita, DR Blechschmidt… - …, 2018 - ACS Publications
The development of several in situ generated catalyst systems for Ti-catalyzed oxidative
nitrene transfer reactions is reported. The simplest and widely applicable catalyst system …

Intermolecular Hydroaminoalkylation of Propadiene

T Kaper, M Fischer, M Warsitz… - … A European Journal, 2020 - Wiley Online Library
Intermolecular hydroaminoalkylation reactions of propadiene with selected secondary
amines take place in the presence of a 2, 6‐bis (phenylamino) pyridinato titanium catalyst …

Stereoselective Synthesis of Tertiary Allylic Amines by Titanium‐Catalyzed Hydroaminoalkylation of Alkynes with Tertiary Amines

T Kaper, D Geik, F Fornfeist… - … A European Journal, 2022 - Wiley Online Library
Intermolecular hydroaminoalkylation reactions of symmetrical and unsymmetrical alkynes
with tertiary amines take place in the presence of catalytic amounts of TiBn4, Ph3C [B …

Convenient Synthesis of Cationic Titanium Complexes with Tridentate Cp,N,P-Ligand Framework: FLP-Like Reactivity at the Ti–N Bond and Unexpected Ligand …

M Fischer, D Barbul, M Schmidtmann… - Organometallics, 2018 - ACS Publications
The convenient synthesis of cationic titanium complexes 4a, b is reported, starting from the
titanium monopentafulvene complex 1 (Cp* Ti (Cl)(π-η5: σ-η1-C5H4═ CR2; CR2 …

Homoleptic Ti[ONO]2 type complexes of amino‐acid‐tethered phenolato Schiff‐base ligands: Synthesis, characterization, time‐resolved fluorescence spectroscopy …

Z Shpilt, R Manne, MA Rohman, S Mitra… - Applied …, 2020 - Wiley Online Library
Six homoleptic Ti (IV) compounds of dianionic tridentate ONO Schiff base ligands with
various substitutions were prepared from chiral amino acids, 2‐hydroxybenzaldehyde …