Results 81 to 90 of about 7,785 (240)

Dinuclear Group 4 Metallocene Catalysts of the Type [(Cp2M)2(μ‐Me)(μ‐C2R)]: Structure‐Activity Relationships in Ethylene Polymerization

open access: yesChemistry – A European Journal, EarlyView.
Homo‐ and heterodinuclear group 4 metallocene complexes of the type [(Cp2M)2(μ‐Me)(μ‐C2R)] (M = Ti, Zr) are active catalysts for the polymerization of ethylene in the presence of aluminium‐free activators. The catalytically active species are proposed to have dinuclear character and depending on the type of activator, unique reactivity was observed ...
Hanan Al Hamwi   +8 more
wiley   +1 more source

SO2 Transfer Enabled by an Easy‐to‐Handle Ionic Liquid

open access: yesChemistry – A European Journal, EarlyView.
Best of both worlds: The ionic liquid [NEt3Me][Cl(SO2)n] unites the atom economy and low cost of sulfur dioxide with the safety and applicability of common surrogates, streamlining SO2 transfer to access to 3‐sulfolenes, sulfonamides, and SuFEx reagents.
Johanna S. Sturm   +11 more
wiley   +1 more source

SICB 2016 NBO/ABO poster

open access: yes, 2016
Poster describing efforts to integrate the Neuro Behavior Ontology and the Animal Behavior Ontology presented at SICB 2016.
openaire   +1 more source

Synthesis of the Phospha‐Wittig Reagent Me3P = P(C2F5) and Generation of a Phospanyl‐Wittig Derivative Me3P = C(CF3)P(C2F5)F

open access: yesChemistry – A European Journal, EarlyView.
The first example of a simple alkylated phosphinidene‐adduct (“phospha‐Wittig”) is reported. The synthesis of Me3PPC2F5 was enabled through reaction of the cyclotetraphosphane (PC2F5)4 with PMe3. The phosphanyl‐functionalized Wittig reagent Me3PC(CF3)P(C2F5)F was prepared by treating the diphosphane P2(C2F5)4 with PMe3.
Lukas Hartmann   +7 more
wiley   +1 more source

Exploring Calixarene‐Based Pseudorotaxane Architectures: Threading Ammonium Axles With an Exo‐Rim π‐Functionalized Calix[6]Arene Macrocycle

open access: yesChemistry – A European Journal, EarlyView.
This research presents a novel 1,4‐π‐functionalized calix[6]arene with enhanced interactions with dialkylammonium axles. We investigate threading behavior in CDCl3, highlighting how exo‐rim π‐functionalization affects binding affinity and stereoselectivity.
Veronica Iuliano   +7 more
wiley   +1 more source

Charge Resonance Interaction in Aromatic Trimer Radical Cations Revealed by IR Spectroscopy: The Case of Pyrrole Homo‐ and Heterotrimers

open access: yesChemistry – A European Journal, EarlyView.
We demonstrate the power of high‐resolution infrared spectroscopy and complementary quantum chemical calculations to unravel the evolution of the aromatic charge resonance interaction (CR) in cold trimer radical cations for the prototypical pyrrole clusters.
Dashjargal Arildii, Otto Dopfer
wiley   +1 more source

Ni2‐Imido Bispincer Platforms: Cooperative Reactivity Enabled Through Substrate Addition Across a Ni2N Unit

open access: yesChemistry – A European Journal, EarlyView.
Ni2 bispincer complexes with an embedded central imido anchor are presented. The bispincer complexes leverage the high basicity of imido ligands to facilitate 1,2 addition of weak B─H and Si─H bonds, resulting in hydrido–amido complexes and resultingly a contortion of a Ni─Ni sigma bond to form an S = 1 species. The 1,2 addition is proposed to serve as
David de los Santos   +2 more
wiley   +1 more source

Enhancing Blood–Brain Barrier Integrity in Patients With Acute Ischemic Stroke Via Normobaric Hyperoxia

open access: yesJournal of the American Heart Association: Cardiovascular and Cerebrovascular Disease
BACKGROUND Recent advancements in animal studies have demonstrated the potential of normobaric hyperoxia (NBO) as a promising intervention for preserving the integrity of the blood–brain barrier (BBB). However, there is still limited understanding of the
Weili Li   +8 more
doaj   +1 more source

Natural Bond Orbitals (NBO) visualization

open access: yes, 2009
This is the second post on a series which will try to address common technical questions in computational chemistry that recursively appear on the CCL. The Natural Bond Orbitals analysis is a powerful tool in population analysis calculations which is more robust than the traditional Mulliken approach, if for no better reason because its almost ...
openaire   +1 more source

Mechanistic Insights Into Sustainable Catalytic Pyrolysis of Biomass‐Derived Ferulic Acid: The Role of Alumina Regeneration

open access: yesChemistry – A European Journal, EarlyView.
Surface‐bound ferulate phenolate complexes undergo styrene‐like polymerization on alumina, yielding a polymeric carbonaceous layer that progressively transforms into polyaromatic carbon domains with concomitant release of aromatic products, while parallel surface‐assisted decarboxylation produces 4‐vinylguaiacol. ABSTRACT A fundamental understanding of
Tetiana V. Kulik   +11 more
wiley   +1 more source

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