Search results for "fullerenes"
showing 10 items of 29 documents
From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures
2013
In this study, we outlined a pragmatic approach for structural studies leading to better understanding of polycarbon structures using 21Ne as a nuclear magnetic resonance (NMR) probe. 21Ne NMR parameters of a single neon atom and its dimer were predicted at the CCSD(T) level in combination with large basis sets. At a lower level of theory, an interaction of neon atom with 1,3-cyclopentadiene ring and with five- and six-membered rings in carbazole was studied using the restricted Hartree–Fock (RHF) and density functional theory (DFT) combined with smaller basis sets. The RHF and DFT modelling of neon interaction with nanosized objects were performed on cyclacenes and selected fullerenes.
Carbon Nanotubes Conjugated with Triazole-Based Tetrathiafulvalene-Type Receptors for C60 Recognition
2019
Fullerene receptors prepared by a twofold CuI -catalyzed azide-alkyne cycloaddition (CuAAC) reaction with -extended tetrathiafulvalene (exTTF) have been covalently linked to singlewalled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs). The nanoconjugates obtained were characterized by several analytical, spectroscopic and microscopic techniques (TEM, FTIR, Raman, TGA and XPS), and evaluated as C60 receptors by UV-Vis spectroscopy. The complexation between the exTTF-triazole receptor in the free state and C60 was also studied by UV-Vis and 1 H NMR titrations, and compared with analogous triazole-based tweezer-type receptors containing the electron-acceptor 11,11,12,12-t…
Substrate templating guides the photoinduced reaction of C60on calcite
2014
cited By 7; International audience; A substrate-guided photochemical reaction of C60 fullerenes on calcite, a bulk insulator, investigated by non-contact atomic force microscopy is presented. The success of the covalent linkage is evident from a shortening of the intermolecular distances, which is clearly expressed by the disappearance of the moiré pattern. Furthermore, UV/Vis spectroscopy and mass spectrometry measurements carried out on thick films demonstrate the ability of our setup for initiating the photoinduced reaction. The irradiation of C60 results in well-oriented covalently linked domains. The orientation of these domains is dictated by the lattice dimensions of the underlying c…
Distribution of fullerenes (nC60) between sediment and water in freshwaters
2014
Abstract Depending on environmental conditions, fullerenes (nC 60 ) have the potential to settle to the bottom sediments. In this study the distribution of nC 60 was investigated in the labile zone between sediment and water. Three freshwater–sediment systems representing oligohumic, mesohumic, and polyhumic lakes with varying sediment composition and structure were used to investigate the target of fullerenes. The largest portion of water suspended fullerenes was found in the sediment, but a part re-suspended relatively quickly to water-stabile particles associated with natural particles. Rapid initial re-suspending was followed by a slower one offering a continuous pathway to the water ph…
Fullerenes(nC60) affect the growth and development of the sediment-dwelling invertebrate Chironomus riparius larvae
2015
Abstract The possible toxicity of nanoparticles (NPs) to aquatic organisms needs to be investigated for chronic effects at low concentrations. Chronic effects of carbon NPs, fullerenesC60, on the midges of Chironomus riparius at different life stages on larvae and adult midges were investigated. Sediment associated fullerenesC60 were studied by 10-day growth and 42-day emergence tests with artificial sediment at nominal concentration ranges 0.0004–80 mg/kg dry weight. The body length decreased in the lower tested concentrations (0.0025–20 mg/kg), but the effect vanished with higher concentrations. Delayed emergence rate observed at 0.5 mg/kg. The observed effects correlated with analyzed se…
New concepts and applications in macromolecular chemistry of fullerenes
2010
A new classification on the different types of fullerene-containing polymers is presented according to their different properties and applications they exhibit in a variety of fields. Because of their interest and novelty, water-soluble and biodegradable C(60)-polymers are discussed first, followed by polyfullerene-based membranes where unprecedented supramolecular structures are presented. Next are compounds that involve hybrid materials formed from fullerenes and other components such as silica, DNA, and carbon nanotubes (CNTs) where the most recent advances have been achieved. A most relevant topic is still that of C(60)-based donor-acceptor (D-A) polymers. Since their application in pho…
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
2018
Understanding how molecular systems self-assemble to form well-organized superstructures governed by noncovalent interactions is essential in the field of supramolecular chemistry. In the nanoscience context, the self-assembly of different carbon-based nanoforms (fullerenes, carbon nanotubes and graphene) with, in general, electron-donor molecular systems, has received increasing attention as a means of generating potential candidates for technological applications. In these carbon-based systems, a deep characterization of the supramolecular organization is crucial to establish an intimate relation between supramolecular structure and functionality. Detailed structural information on the se…
Advanced ultra-high molecular weight polyethylene/antioxidant-functionalized carbon nanotubes nanocomposites with improved thermo-oxidative resistance
2015
Multiwalled carbon nanotubes (CNTs) functionalized with hindered phenol moieties are dispersed in ultra-high molecular weight polyethylene (UHMWPE), and the stabilizing action of the antioxidant (AO) functionalized CNTs (AO-f-CNTs) is studied through a combination of rheological and spectroscopic (FT-IR) analyses. The effectiveness of two alternative compounding methods, namely hot compaction (HC) and melt mixing (MM), is compared. The combination of high temperature and mechanical stress experienced during MM brings about noticeable degradation phenomena of the matrix already in the course of the compounding step. Differently, the milder conditions of the HC process preserve the stability …
Relaxation of photogenerated carriers in P3HT:PCBM organic blends.
2009
Relaxing in the sunlight. Long time-transient decays of photogenerated carriers in P3HT:PCBM blends for organic solar cells are interpreted in terms of the relaxation of hole carriers in a broad density of states. The after-pulse time-resolved microwave conductivity (TRMC) decays observed in P3HT:PCBM blends display a dependence on time close to t−β, independent of excitation intensity, in the 10 ns–1 μs range. This is explained in terms of the relaxation of carriers in a Gaussian density of states (DOS). The model is based on a demarcation level that moves with time by thermal release and retrapping of initially trapped carriers. The model shows that when the disorder is large the after-pu…
Face-to-face held Pacman type porphyrin-fullerene dyads: design, synthesis, charge transfer interactions and photophysical studies
2008
Pacman-type face-to-face zinc-porphyrin-fullerene dyads have been newly synthesized and studied. Owing to the close proximity of the donor and acceptor entities, strong pi-pi intramolecular interactions between the porphyrin and fullerene entities resulted in modulating the spectral and electrochemical properties of the dyads. New absorption and emission bands that correspond to the charge-transfer interactions were observed in the near-IR region. Time-resolved transient absorption studies revealed efficient photoinduced electron transfer from the singlet excited porphyrin to the fullerene entity. The rate constants for photoinduced electron transfer are analyzed in terms of the Marcus theo…