The visible electronic absorption band with intramolecular charge transfer of two pyridazinium ylids having common carbanion and different heterocycles is recorded in solutions and its position is correlated to parameters of some empirical scales of solvents. The nature of the intermolecular interactions in pyridazinium ylid solutions is discussed and the supply of each type of interaction is established based on solvatochromic study.
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http://dx.doi.org/10.1016/j.saa.2015.07.006 | DOI Listing |
Natl Sci Rev
January 2025
State Key Laboratory of Elemento-Organic Chemistry, Frontiers Science Center for New Organic Matter, The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Institute of Polymer Chemistry, Renewable Energy Conversion and Storage Center (RECAST), Tianjin Key Laboratory of Functional Polymer Materials, Nankai University, Tianjin 300071, China.
It remains challenging to design efficient bifunctional semiconductor materials in organic photovoltaic and photodetector devices. Here, we report a butterfly-shaped molecule, named WD-6, which exhibits low energy disorder and small reorganization energy due to its enhanced molecular rigidity and unique assembly with strong intermolecular interaction. The binary photovoltaic device based on PM6:WD-6 achieved an efficiency of 18.
View Article and Find Full Text PDFNat Commun
January 2025
Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing, China.
Luminescent gold(I) compounds have attracted intensive attention due to anticipated strong spin-orbit coupling (SOC) resulting from heavy atom effect of gold atoms. However, some mononuclear gold(I) compounds are barely satisfactory. Here, we unveil that low participation of gold in transition-related orbitals, caused by 6s-Ï€ symmetry mismatch, is the cause of low SOCs in monogold(I) compounds.
View Article and Find Full Text PDFAnal Chem
January 2025
Institut de Recherche en Santé, Environnement et Travail (Irset)─Inserm─EHESP, UMR_S 1085, Université de Rennes, 9 av. du Professeur Léon Bernard, F-35042 Rennes, France.
Amyloidosis is a group of proteinopathies characterized by the systemic or organ-specific deposition of proteins in the form of amyloid fibers. Nearly 40 proteins play a role in these pathologies, and the structures of the associated fibers are beginning to be determined by Cryo-EM. However, the molecular events underlying the process, such as fiber nucleation and elongation, are poorly understood, which impairs developing efficient therapies.
View Article and Find Full Text PDFChem Sci
December 2024
Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University Toyonaka Osaka 560-8531 Japan
In this study, we theoretically examined the mechanism of aromaticity induced in closely stacked cofacial π-dimers of 4π antiaromatic molecules, which is called stacked-ring aromaticity, in terms of the effective number of π-electrons ( ) and Baird's rule. High-precision quantum chemical calculations combined with a multi-configurational wavefunction analysis revealed that double-triplet [(TT)] and intermolecular charge-transfer (CT) electron configurations mix substantially in the ground state wavefunctions of cyclobutadiene and Ni(ii) norcorrole dimer models at small stacking distance (). Since the T configuration gives rise to two unpaired electrons, the remaining 4 - 2 π electrons still participate in the intramolecular conjugation, which can be interpreted as the origin of the aromaticity of each monomer.
View Article and Find Full Text PDFRSC Adv
January 2025
Department of Fundamental Chemistry, Institute of Chemistry, University of São Paulo 05508-000 São Paulo SP Brazil
New tetrakis Eu and Gd β-diketonate complexes containing benzimidazolium (Bzim) as the counterion were synthesized by the one-pot method. The Bzim[Eu(tta)]·HO complex was further incorporated into a poly(methyl methacrylate) matrix (PMMA) at 1, 5, and 10% (w/w), which revealed highly desirable photonic features. The Eu and Gd complexes were characterized by elemental and thermal analyses, in addition to ESI-MS spectrometry, FTIR, and Raman spectroscopy.
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