نتایج جستجو برای: π conjugated molecules

تعداد نتایج: 248732  

Journal: :Journal of the American Chemical Society 2019

2012
Soren Wohlthat Fabian Pauly

The conduction properties of phenanthroline-terminated, polycyclic extended rr -conjugated molecul ar wires are investigated using density fun ctional theory (OFT) in combination with Green 's function techniques and group theory. While these molecules could possibly be thought of as accessible graphene-like fragments, they are calculated to conduct poorly. The decay constant for their exponent...

Journal: :ACS applied materials & interfaces 2013
Seok-Ju Kang Youn-Su Kim Won Bae Kim Dong-Yu Kim Yong-Young Noh

We report a method for controlling the orientations of conjugated polymers in the active layer of organic thin-film transistors (OTFTs) by annealing the film at the melting temperature in a vertically aligned multiwalled carbon nanotube (VA-CNT) template under various load pressures. Poly(3-hexylthiophene) [P3HT] molecules are effectively aligned in the melting state annealing at 240 °C for 30 ...

Journal: :Journal of Physical Chemistry A 2021

The pseudo-π model yields current densities and induced magnetic fields that mimic the π-component, allowing investigations of large molecular structures, whether they are planar or not, at a low computational cost but with high accuracy. Herein π-contribution to magnetically molecules nonplanar (such as [10]cyclophenacene chiral toroidal nanotubes C2016 C2196) were computed using gauge-includi...

Journal: :Current Organic Chemistry 2022

Abstract: Conjugated materials have emerged as a new class of photocatalysts for solar fuel generation, thus allowing the Sun’s energy to be converted into storable that can used without further emissions at point use. Many different building blocks been make conjugated act efficient light absorption and tuing photophysical properties. The porphyrin moiety is very interesting block large π-conj...

2017
Chengxin Peng Guo-Hong Ning Jie Su Guiming Zhong Wei Tang Bingbing Tian Chenliang Su Dingyi Yu Lianhai Zu Jinhu Yang Man-Fai Ng Yong-Sheng Hu Yong Yang Michel Armand

Even though organic molecules with well-designed functional groups can be programmed to have high electron density per unit mass, their poor electrical conductivity and low cycle stability limit their applications in batteries. Here we report a facile synthesis of π-conjugated quinoxaline-based heteroaromatic molecules (3Q) by condensation of cyclic carbonyl molecules with o-phenylenediamine. 3...

Journal: :Inorganics (Basel) 2023

A series of four Werner-type complexes Pd(II) and Pt(II) with planar, isomeric conjugated aromatic naphtoquinone oximes were synthesized for the first time. These ligands 1-oxime-2-naphtoquinone (HL1) 2-oxime-1-napthoquinone (HL2). Compounds characterized using thermal analysis, spectroscopic methods, X-ray analysis. TG/DSC data collected pure starting organic ligands, their complexes, indicate...

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