نتایج جستجو برای: π delocalization
تعداد نتایج: 35852 فیلتر نتایج به سال:
Excitation energy transfer in perylene-3,4:9,10-bis(dicarboximide) (PDI) aggregates is of interest for light-harvesting applications of this strongly absorbing and π-π stacking chromophore. Here we report the synthesis and characterization of two PDI dimers in which the chromophores are covalently linked by a redox-inactive triptycene bridge in orientations that are cofacial (1) and slip-stacke...
Crystalline solids self-assembled from anionic and cationic porphyrins provide a new class of multifunctional optoelectronic micro- and nanomaterials. A 1 : 1 combination of zinc(II) tetra(4-sulfonatophenyl)porphyrin (ZnTPPS) and tin(IV) tetra(N-methyl-4-pyridiniumyl)porphyrin (SnTNMePyP) gives porphyrin nanosheets with high aspect ratios and varying thickness. The room temperature preparation ...
Graphite carbon nitride (g-C3N4) has become an emerging metal-free photocatalyst and attracted the attention of researchers. However, pure g-C3N4 (PCN) prepared by traditional thermal condensation polymerization a low heptazine ring chains large number charge recombination centers, which hinder in-plane transport, leading to undesirable photocatalytic performance. Herein, PCN fabrication treatm...
The transition metal complexes [Ru(dmb)3] and [Ru(dpb)3], where dmb is 4,4′-dimethyl-2,2′-bipyridine and dpb is 4,4′-diphenyl-2,2′-bipyridine, have been studied by femtosecond visible electronic absorption spectroscopy. Spectroelectrochemical measurements in conjunction with nanosecond time-resolved absorption spectroscopy allow for the assignment of various features in the excited-state differ...
From time to time I have the opportunity to give lectures on topics related to aromaticity. Quite often in these occasions I get comments from the audience complaining about the fact that aromaticity is not a well-defined concept. My usual answer is that the most fruitful concepts in chemistry share the same lack of strict definition (Grunenberg, 2017). In one of these occasions, the comment wa...
Within the framework of density functional theory approach, we studied relationship between chemical nature intramolecular hydrogen bonds (HBs) and nuclear magnetic resonance (NMR) parameters, J-couplings 1H-chemical shifts [δ(1H)], atoms involved in such o-hydroxyaryl Schiff bases during proton transfer process. For first time, shape dependence degree covalence HBs on 1J(N–H), 1J(O–H), 2hJ(O–N...
in the crystal structure of the title polymeric compound, [c42h38n6o33sr5.2(h2o)]n, five independent metal atoms (sr1-sr5) have different coordination environments. the sr1 and sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. the rest srii atoms have eight coordination numbers. these units are connected v...
The consequences of thermal fluctuations occurring at room temperatures on the aromatic character of a broad group of compounds were analyzed in three distinct ways. First of all, the ring deformations were modeled along normal coordinates coming from quantum thermo-chemistry computations. The amplitudes of vibrations were estimated according to absorbed energies at room temperature. Alternativ...
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