Prediction of ligand effects in platinum-amyloid-β coordination.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of inorganic biochemistry"
DOI: 10.1016/j.jinorgbio.2017.05.003
Abstract: Ligand field molecular mechanics (LFMM) and semi-empirical Parametric Model 7 (PM7) methods are applied to a series of six PtII-Ligand systems binding to the N-terminal domain of the amyloid-β (Aβ) peptide. Molecular dynamics using a… read more here.
Keywords: coordination; peptide; effects platinum; prediction ligand ... See more keywords
Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.1c02197
Abstract: A new gold cluster compound [Au23(NHCptol)6(C≡CPh)9]2+ (NHCptol = 1,3-di(para-methylbenzyl)benzimidazolin-2-ylidene) (Au23NHCptol) was synthesized, and its geometric and electronic structures were ... read more here.
Keywords: effects structures; au23l6 cph; cph heterocyclic; ligand effects ... See more keywords
Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Copper–Rhodium and Copper–Nickel Heterostructures
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b00940
Abstract: We show how epitaxially grown Cu–Rh and Cu–Ni heterostructures exploit the strain effect, due to the lattice mismatch, and the ligand effect, arising from the electronic interaction between the heterolayers, to achieve improved CO2 electroreduction.… read more here.
Keywords: strain ligand; ligand effects; copper; co2 electroreduction ... See more keywords
Spotlight on Ligand Effects in 1,2,3-Triazolylidene Gold Complexes for Hydroamination Catalysis: Synthesis and Catalytic Application of an Activated MIC Gold Triflimide Complex and Various MIC Gold Chloride Complexes
Sign Up to like & getrecommendations! Published in 2021 at "Organometallics"
DOI: 10.1021/acs.organomet.1c00057
Abstract: The control of catalytic properties through ligand design is at the heart of homogeneous catalysis. Herein we report on ligand effects in six 1,3,4-substituted 1,2,3-triazolylidene gold complexes a... read more here.
Keywords: triazolylidene gold; ligand effects; gold complexes; catalysis ... See more keywords
Ligand Effects and Kinetic Investigations of Sterically Accessible 2-Pyridonate Tantalum Complexes for Hydroaminoalkylation
Sign Up to like & getrecommendations! Published in 2017 at "ACS Catalysis"
DOI: 10.1021/acscatal.7b01486
Abstract: The synthesis of a series of structurally varied pyridonate-supported tantalum amido complexes and their catalytic reactivity in the intermolecular α-alkylation of unprotected secondary amines are described. Both terminal and internal alkenes can undergo this hydroaminoalkylation… read more here.
Keywords: tantalum; pyridonate; ligand effects; pyridonate tantalum ... See more keywords
Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.6b12607
Abstract: Treatment of Ni(0) complexes 1a-e with sub-atmospheric pressures of trifluoroethylene (TrFE) affords hydrofluoronickelacyclopentanes L2Ni(C4F6H2) 2a-e (L = PPh3, P(O-o-tol)3, PPh2Me, PPhMe2, PMe3). Fluorine NMR analysis of 2a-e demonstrates predominant formation of three (of the possible… read more here.
Keywords: hydrofluoronickelacycles trifluoroethylene; trans head; generation hydrofluoronickelacycles; ligand effects ... See more keywords
Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b01445
Abstract: Recent decades have witnessed intense research efforts aimed at developing new homogeneous olefin polymerization catalysts, with a primary focus on metal-Cl or metal-hydrocarbyl precursors. Curiously, metal-NR2 precursors have received far less attention. In this contribution,… read more here.
Keywords: unexpected precatalyst; ligand effects; precatalyst; ligand ... See more keywords
Insights into the ligand effects of rhodium catalysts toward reductive carbonylation of methanol to ethanol
Sign Up to like & getrecommendations! Published in 2017 at "RSC Advances"
DOI: 10.1039/c7ra10739k
Abstract: Methanol reductive carbonylation to ethanol catalyzed by diphosphine ligand modified Rh-based catalysts has been studied. All the catalysts show ligand effects toward the turnover frequency and selectivity. Four Rh–diphosphine complexes were isolated and single crystals… read more here.
Keywords: catalysts toward; ligand effects; reductive carbonylation; effects rhodium ... See more keywords
Ligand effects on the photoluminescence of atomically precise silver nanoclusters.
Sign Up to like & getrecommendations! Published in 2023 at "Nanoscale"
DOI: 10.1039/d2nr06619j
Abstract: Photoluminescence (PL) is one of the most exciting properties of atomically precise metal nanoclusters (NCs), making them a prime choice for various applications, from sensing to bio-imaging. While there are several advantages of metal NCs… read more here.
Keywords: precise silver; atomically precise; effects photoluminescence; ligand effects ... See more keywords
Structural evolution and ligand effects of (Au1L2)n, (Au2L3)n, and (Au3L4)n [n = 1–3, L = SCH3,P(CH3)2,PH2,Cl] clusters
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Simulation"
DOI: 10.1080/08927022.2019.1630736
Abstract: ABSTRACT In this paper, we present a density-functional theory with a particle swarm optimisation algorithm to research the progress of the ligand effects of the gold (Au) structures and growth process of the [Au1L2]n, [Au2L3]n… read more here.
Keywords: ch3; ligand effects; sch3; ligand ... See more keywords
NHC Ligand Effects on Ru-Catalyzed Cross-Metathesis of Renewable Materials
Sign Up to like & getrecommendations! Published in 2020 at "Catalysts"
DOI: 10.3390/catal10080904
Abstract: As petrochemical resources become increasingly scarce and expensive, much attention has been focused on renewable resources from biomass as alternative options for producing basic building blocks for chemical manufacturing. Catalytic olefin metathesis represents a powerful… read more here.
Keywords: ligand effects; nhc ligand; cross metathesis; effects catalyzed ... See more keywords