Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties

Autor: Tárcius N. Ramos, Laura Le Bras, Yves L. Dory, Benoît Champagne

Publikováno v: ChemPhysChem.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c9465992f9e5cbb2518ebab75f98035d
https://doi.org/10.1002/cphc.202300150

Synthesis of 1,6/7-(NO2)2Perylenediimide and 1,6/7-(NH2)2Perylenediimide: Regioisomerically Pure Materials for Organic Electronics

Autor: Adèle Gapin, Arthur David, Magali Allain, Dorian Masson, Olivier Alévêque, Thomas Ave, Laura Le Bras, Pietrick Hudhomme, Antoine Goujon

The use of perylenediimide (PDI) building blocks in materials for organic electronic is of considerable interest. The introduction of peripheral groups in their ortho and bay positions radically modify their optoelectronic properties. In this article

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c670b44d64329d239875519bf85041d3
https://doi.org/10.26434/chemrxiv-2023-6hqsj

Aggregation‐Induced Emission: A Challenge for Computational Chemistry Taking TPA‐BMO as an Example**

Autor: Juan Sanz García, Laure de Thieulloy, Claire Lemarchand, Carlo Adamo, Benoît Zumer, Laura Le Bras, Nicolas Pineau, Aurélie Perrier

Publikováno v: ChemPhysChem. 22:1802-1816

A multi-environment computational approach is proposed to study the modulation of the emission behavior of the triphenylamine (Z)-4-benzylidene-2-methyloxazol-5(4H)-one (TPA-BMO) molecule [Tang et al., J. Phys. Chem. C 119, 21875 (2015)]. We aim at (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e2c366967dab535f541f7960546dd5b
https://doi.org/10.1002/cphc.202100239

Computational prediction of the supramolecular self-assembling properties of organic molecules: the role of conformational flexibility of amide moieties

Autor: Yves L. Dory, Laura Le Bras, Benoît Champagne

Publikováno v: Le Bras, L, Dory, Y L & Champagne, B 2021, ' Computational prediction of the supramolecular self-assembling properties of organic molecules : The role of conformational flexibility of amide moieties ', Physical Chemistry Chemical Physics, vol. 23, no. 36, pp. 20453-20465 . https://doi.org/10.1039/d1cp02675e

Two families of organic molecules with different backbones have been considered. The first family is based on a macrolactam-like unit that is constrained in a particular conformation. The second family is composed by a substituted central phenyl that

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::daef949b76a11dba3cdf5b14c0e54b14
https://doi.org/10.1039/d1cp02675e

Understanding the properties of dithienylethenes functionalized for supramolecular self-assembly: a molecular modeling study

Autor: Maroua Louati, Aurélie Perrier, Stéphane Aloïse, Michinori Takeshita, Laura Le Bras, Carlo Adamo, Ismail Hamdi, Roxanne Berthin

Publikováno v: Physical Chemistry Chemical Physics. 22:6942-6952

A dithienylethene (DTE) photochromic compound functionalized by ureidopyrimidinone (UPy) quadruple hydrogen bonding blocks was synthesized by Takeshita and coworkers [Takeshita et al., Chem. Commun., 2005, 761] in order to form a light-responsive sup

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b9320a5e8ab59320373595227adb30f
https://doi.org/10.1039/c9cp06590c