Results 31 to 40 of about 618 (167)
An NHC‐Coordinated Silicon/Sulfur Analogue of an Acyl Carbene
Angewandte Chemie, EarlyView.An NHC complex of an Si/S analogue of an acyl carbene is synthesized by the reaction of a disilyne with a cyclic thiourea. The observed Si2S three‐membered ring with unsymmetrical Si─S distances and a Si─Si single bond is consistent with intramolecular coordination of the silathioacyl sulfur to the silylene center.
Takuto Toyooka +2 more
wiley +2 more sources
Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene [PDF]
Journal of the Serbian Chemical Society, 2015 The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(η5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp∙) and bis(η5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has ...
Anđelković Ljubica +3 more
doaj +1 more source
Cyclo[48]carbon—Evaluation of Its Inherent Magnetic Behavior and Anisotropy from DFT Calculations
ChemistryCyclo[48]carbon (C48) exhibits an aesthetically pleasant structure featuring a cyclic polyyne, and it serves as a prototypical medium-sized ring that moves us towards an understanding of its overall magnetic behavior in a challenging molecular shape ...
Peter L. Rodríguez-Kessler +1 more
doaj +1 more source
Evaluation of the Aromaticity of a Non-Planar Carbon Nano-Structure by Nucleus-Independent Chemical Shift Criterion: Aromaticity of the Nitrogen- Doped Corannulene [PDF]
Journal of Nanostructures, 2014 Substitution of two or four carbon atoms by nitrogen in the corannulene molecule as a carbon nanostructure was done and the obtained structures were optimized at MP2/6-31G(d) level of theory.
A. Reisi-Vanani, L. Alihoseini
doaj +1 more source
Nature Communications, 2023 Phototriggered click and clip reactions can endow chemical processes with high spatiotemporal resolution and sustainability, but are challenging with a limited scope.
Hanwei Lu +5 more
doaj +1 more source
Recent Advances in Antiaromatic Metallacycles Through Computational Chemistry Methods
ChemistryIn recent years, antiaromatic compounds have gained significant attention in optoelectronic materials, catalytic synthesis, and biomedicine due to their unique electronic structures and properties, emerging as a research frontier in organic chemistry ...
Lvming Zhu, Yarong Wang, Yang Li
doaj +1 more source
Advanced Science, EarlyView.The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She +7 more
wiley +1 more source
Evaluation of the aromatic character of some bowl shape polycyclic carbon nanostructures [PDF]
شیمی کاربردی روز, 2017 In two recent decades, nucleus independent chemical shift (NICS) criterion was used to gauge the amount of aromaticity of organic and inorganic compounds in a lot of publications.
Adel Reisi-Vanani, fatemeh hajizadeh
doaj +1 more source
A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives
Molecules, 2022 The somewhat elusive concept of aromaticity plays an undeniable role in the chemical narrative, often being considered the principal cause of the unusual properties and stability exhibited by certain π skeletons. More recently, the concept of aromaticity
Miguel Gallegos +4 more
doaj +1 more source
Angewandte Chemie International Edition, EarlyView.A strained macrocycle consisting solely of azulene subunits, named [6]cycloparaazulenylene ([6]CPA), is presented. The macrocycle exhibits a notably narrow HOMO–LUMO gap for a pristine azulene species, strain‐induced red‐shifted absorption, and an unusual tubular packing motif elucidated via single‐crystal XRD.
Clara Douglas +8 more
wiley +1 more source