Metal ion modeling using classical mechanics

P Li, KM Merz Jr - Chemical reviews, 2017 - ACS Publications
Metal ions play significant roles in numerous fields including chemistry, geochemistry,
biochemistry, and materials science. With computational tools increasingly becoming …

Hybrid organic–inorganic two-dimensional metal carbide MXenes with amido-and imido-terminated surfaces

C Zhou, D Wang, F Lagunas, B Atterberry, M Lei… - Nature Chemistry, 2023 - nature.com
Abstract Two-dimensional (2D) transition-metal carbides and nitrides (MXenes) combine the
electronic and mechanical properties of 2D inorganic crystals with chemically modifiable …

Top-down N-doped carbon quantum dots for multiple purposes: Heavy metal detection and intracellular fluorescence

F Limosani, EM Bauer, D Cecchetti, S Biagioni… - Nanomaterials, 2021 - mdpi.com
In the present study, we successfully synthesized N-doped carbon quantum dots (N-CQDs)
using a top-down approach, ie, hydroxyl radical opening of fullerene with hydrogen …

A site distance dependence of product selectivity in n-hexane dehydrogenation over alumina-supported chromium catalyst

X Li, R Fan, H Shen, G Wang, C Li - Chemical Engineering Journal, 2024 - Elsevier
Abstract Although CrO x/Al 2 O 3 has been widely applied for light alkanes dehydrogenation,
there is insufficient understanding on the dehydrogenation of long-chain alkanes that no …

Quantifying ligand effects in high-oxidation-state metal catalysis

BS Billow, TJ McDaniel, AL Odom - Nature Chemistry, 2017 - nature.com
Catalysis by high-valent metals such as titanium (iv) impacts our lives daily through
reactions like olefin polymerization. In any catalysis, optimization involves a careful choice of …

Chromium nitride umpolung tuned by the locus of oxidation

D Martelino, S Mahato, W VandeVen… - Journal of the …, 2022 - ACS Publications
Oxidation of a series of CrV nitride salen complexes (Cr V NSal R) with different para-
phenolate substituents (R= CF3, tBu, NMe2) was investigated to determine how the locus of …

Extreme π-loading as a design element for accessing imido ligand reactivity. A CCC-NHC pincer tantalum bis (imido) complex: synthesis, characterization, and …

TR Helgert, X Zhang, HK Box, JA Denny… - …, 2016 - ACS Publications
A rare Ta bis (imido) complex, which has unique reactivity, was prepared by manipulating
the coordination sphere of a CCC-NHC pincer Ta complex. The reaction of lithium tert …

Two lanthanide metal–organic frameworks as sensitive luminescent sensors for the detection of Cr 2+ and Cr 2 O 7 2− in aqueous solutions

XH Huang, L Shi, SM Ying, GY Yan, LH Liu, YQ Sun… - …, 2018 - pubs.rsc.org
Two lanthanide–organic frameworks [Ln (HPIDC)(m-bdc)· 1.5 H2O] n (Ln= Eu 1 or Tb 2;
H3PIDC= 2-(4-pyridyl)-1H-imidazole-4, 5-dicarboxylic acid; m-H2bdc= 1, 3 …

Synthesis, Properties, and Reactivity of a Linear NHC-Based Chromium (I) Silylamide

A Gonzalez, TY Chen, S Demeshko, F Meyer… - …, 2023 - ACS Publications
We describe the synthesis of the linear N-heterocyclic carbene (NHC)-based chromium (I)
silylamide [(IMes) Cr (N {Dipp} Si i Pr3)](IMes= 1, 3-dimesityl-imidazol-2-ylidene, Dipp= 2, 6 …

A Chromium (II) tetracarbene complex allows unprecedented oxidative group transfer

GR Elpitiya, BJ Malbrecht, DM Jenkins - Inorganic Chemistry, 2017 - ACS Publications
Multiple distinct oxidative group transfer reactions to low valent chromium were examined.
Six new chromium complexes were prepared from a highly electronically unsaturated Cr (II) …