Results 21 to 30 of about 62,639 (186)
Structure and Stability of Aromatic Nitrogen Heterocycles Used in the Field of Energetic Materials
Molecules, 2020 Understanding the stabilization of nitrogen heterocycles is critical in the field of energetic materials and calls for innovative knowledge of nitrogen aromatics.
He-Hou Zong +4 more
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The Magnetic Response of Starphenes
Chemistry, 2021 The aromaticity of [n]starphenes (n = 1, 4, 7, 10, 13, 16), as well as starphene-based [19]dendriphene, is addressed by calculating the magnetically induced current density and the induced magnetic field, using the pseudo-π model.
Mesías Orozco-Ic, Gabriel Merino
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Spreading Electron Density Thin: Increasing the Chromophore Size in Polyaromatic Wires Decreases Interchromophoric Electronic Coupling [PDF]
, 2018 The development of novel polychromophoric materials using extended polycyclic aromatic hydrocarbons as a single large chromophore holds promise for long-range charge-transfer applications in photovoltaic devices and molecular electronics.
Hossain, Mohammad Mosharraf +4 more
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Modelos para dispersão Raman em polímeros conjugados Raman dispersion models in conjugated polymers
Química Nova, 2005 Raman dispersion refers to the dependence of the position of Raman bands on the energy of the exciting radiation. In this work, the three main models currently used to explain this phenomenon (Conjugated Length Model, Amplitude Mode Model and Effective ...
Ricardo P. Millen +2 more
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OsB9−: An Aromatic Osmium-Centered Monocyclic Boron Ring
Frontiers in Chemistry, 2021 Transition-metal-centered monocyclic boron wheels are important candidates in the family of planar hypercoordinate species that show intriguing structure, stability and bonding situation. Through the detailed potential energy surface explorations of MB9−
Rui Yu +4 more
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Nature Communications, 2022 Electroreduction of CO2 on single atom catalysts is often hindered by electron delocalization of the metal sites. To improve CO2 activation, here the authors functionalize the carbon support with cyano moieties, thereby attenuating metal-substrate ...
Qiyou Wang +14 more
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The electron density delocalization of hydrogen bond systems
Advances in Physics: X, 2018 Recent experimental and theoretical researches have gradually proved that hydrogen bond (H-bond) interactions are not simple traditionally considered electrostatic interaction. Instead, they involve electron density delocalization.
Zhiyuan Zhang +3 more
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Aromaticity Concepts Derived from Experiments
Sci, 2022 Aromaticity, a very important term in organic chemistry, has never been defined unambiguously. Various ways to describe it come from different phenomena that have been experimentally observed.
Halina Szatylowicz +2 more
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How does aromaticity rule the thermodynamic stability of hydroporphyrins? [PDF]
, 2011 Several measures of aromaticity including energetic, magnetic, and electron density criteria are employed to show how aromatic stabilization can explain the stability sequence of hydroporphyrins, ranging from porphin to octahydroporphin, and their ...
Bultinck, Patrick +5 more
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Molecules, 2016 Polysilanes are known to exhibit the interesting property of σ-bond electron delocalization. By employing optical spectroscopy (UV-vis), it is possible to judge the degree of delocalization and also differentiate parts of the molecules which are ...
Johann Hlina +4 more
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