Results 101 to 110 of about 16,319 (283)

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

Chemistry – 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

Chemistry – 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, Kritika Gour, Manar M. Shoshani   +2 more
wiley   +1 more source

The effective role of alkali earth/alkali ratio on formation HCA nano particles for soda lime phospho silicate glass system

OpenNano, 2017
In the present work, we report on the effect of the CaO/Na2O ratio on Non-Bridging Oxygen/Bridging Oxygen (NBO/BO) ratio for sol-gel synthesised 58SiO2-(38-x)CaO-xNa2O-4P2O5 glasses and establish the correlation between Hydroxy Carbonated Apatite layer ...
P. Kiran, V. Ramakrishna, N.K. Udayashankar, H.D. Shashikala   +3 more
doaj   +1 more source

NBO, nonlinear optical and thermodynamic properties of 10-Acetyl-10H-phenothiazine 5-oxide

, 2017
In this paper, natural bond orbital (NBO) analysis, nonlinear optical and the thermodynamic properties of 10-Acetyl-10H-phenothiazine 5-oxide have been analyzed by employing density functional theory level employing 6-311++G(d,p) basis set.
Bhawani Datt Joshi, Manoj Kumar Chaudhary   +1 more
core   +1 more source

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

Chemistry – 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, Borys B. Palianytsia, Mykola M. Ilchenko, Nataliia S. Nastasiienko, David J. Morgan, Liudmila P. Storozhuk, David J. Willock, Greg Shaw, Duncan F. Wass, Rafael Luque, Philip R. Davies, Mykola T. Kartel   +11 more
wiley   +1 more source

New Insights into Poly(Dichlorophosphazene) Synthesis via Me3Si─N═PCl3 Polymerization: An Experimental and Theoretical Study

Chemistry – A European Journal, EarlyView.
Poly(dichlorophosphazene) synthesis via Me3Si─N═PCl3 polymerization was reinvestigated using quantum chemical calculations and experiments. A cationic initiator (Ph3PCl2) enables ambient‐temperature polymerization through chloride‐catalyzed cationic pathways involving dissociation, nucleophilic chloride attack, and chain‐propagating species formation ...
Cornelius Knuth, Paul Strasser, Carmen Hoth, Joerg Harloff, Thomas Eickner, Ian Teasdale, Axel Schulz   +6 more
wiley   +1 more source

Regioselective Aldol Reactions Directed by Charge and Orbital Effects in Cyclic Germyl Dienolates: Synthesis of Three Distinct Regio‐ and Stereoisomers

Chemistry – A European Journal, EarlyView.
Charge and orbital control represent fundamental principles in organic chemistry. In this study, these principles are applied to the aldol reactions of a cyclic Ge‐dienolate. By systematically tuning the charge and orbital distributions of the Ge‐dienolates and their aldehyde reaction partners, regio‐ and stereoselective access to three distinct aldol ...
Taishi Nojima, Akihito Konishi, Makoto Yasuda   +2 more
wiley   +1 more source

Synthesis of Tris(indol‐3‐yl)methanes From Indoles, CO2, and Dimethylphenylsilane With BPh3: Two‐Step Construction of π‐Conjugated Systems

Chemistry – A European Journal, EarlyView.
Tris(indol‐3‐yl)methanes were synthesized from indoles, CO2, and PhMe2SiH in the presence of BPh3 in acetonitrile at 50°C. One product, tris(4‐bromo‐1‐methylindol‐3‐yl)methane, underwent a palladium‐catalyzed cascade reaction for the formation of a novel polycyclic heteroaromatic compound, where the methine C(sp3) atom originating from CO2 was ...
Sha Li, So Saibara, Reito Yasui, Kazuto Takaishi, Natsumi Nitta, Tadashi Ema   +5 more
wiley   +1 more source

The effects of the Newborn Behavioral Observations (NBO) system in early intervention: A multisite randomized controlled trial

, 2020
The purpose of this pilot study was to evaluate the effect of an infant mental health intervention, the Newborn Behavioral Observations system (NBO), versus usual care (UC) on infant neurodevelopment and maternal depressive symptoms in early intervention
Natalie J. Murphy, McManus, Beth, Blanchard, Yvette, Murphy, Natalie J., Beth M. McManus, J. Kevin Nugent, Yvette Blanchard, Nugent, J. Kevin   +7 more
core   +1 more source

From Charge‐Transfer Adducts to (Tri)Halide‐Templated Supramolecular Cages: Covalent vs Ionic Products in the Reactions of Pyridin‐4‐ylthio‐Substituted Tetrathiafulvalene With Dihalogens and Interhalogens

Chemistry – A European Journal, EarlyView.
The reactions between tetra(pyridin‐4‐ylthio)tetrathiafulvalene and Br2/I2/ICl/IBr led to a variety of products, including a rare example of neutral 1:4 CT adduct and ionic products showing supramolecular cage motifs at (tri)halide templates. The nature of the reaction products was elucidated based on XRD analysis, Raman spectroscopy and QTAIM, NCI ...
Anna Caria, Stéphane A. Baudron, M. Carla Aragoni, Vito Lippolis, Anna Pintus, Enrico Podda, Massimiliano Arca   +6 more
wiley   +1 more source