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Fullerene C60

Dogan Kaya, Jianzhi Gao, Mahroo Rokni-Fard, Richard E Palmer, Quanmin Guo
We report controlled manipulation of magic number gold-fullerene clusters, (C60)m-(Au)n, on a Au(111) substrate at 110 K using the scanning tunnelling microscope (STM). Each cluster consists of a two-dimensional gold island of n Au atoms confined by a frame of m C60 molecules. Using the STM, C60 molecules are extracted from the molecular frame one at a time. The extraction is conducted by driving the STM tip into the cluster leading to one of the molecules being squeezed out of the frame. Unlike at room temperature, the extracted molecules do not move away from the cluster due to the lack of thermal energy at 110 K, they are found to be attached to the outside of the frame...
June 20, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
Shuyang Liu, Andrey Yurievich Rogachev
The first comprehensive and systematic theoretical exploration of the bonding nature and energetics of the interactions between Ag(I) cation and a wide set of pi-ligands was accomplished. Application of two energy decomposition schemes based on different ideas, namely, NBO-NEDA and EDA-NOCV, allowed shedding light on the nature of the bonding and its energetics. Importantly, our results unambiguously indicate that reliable results can be obtained only if using more than one theoretical approach. All methods clearly revealed the importance and even domination of the ionic contribution of the bonding in all adducts, except for those of C60-fullerene, in which the covalent component was found to be the largest...
June 19, 2018: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Paulina Kazmierska, Anna Kobrzycka, Renata Bocian, Tomasz Kowalczyk, Anita Krokosz, Jacek Grebowski
Since the first identification of fullerenes (C60 ) and their synthesis in 1985, those compounds have been extensively studied in the biomedical field. In particular, their water-soluble derivatives, fullerenols (C60 (OH)n, n = 2-48), have recently been the subject of numerous investigations concerning their antioxidant and prooxidant properties in biological systems. A small fraction of that research has focused on the possible use of C60 and C60 (OH)n in neuroscience and the therapy of pathologies such as dementia, amyloid-β (Aβ) formation, and Parkinson's disease...
June 14, 2018: Experimental and Molecular Pathology
Subhadip Goswami, Debmalya Ray, Ken-Ichi Otake, Chung-Wei Kung, Sergio J Garibay, Timur Islamoglu, Ahmet Atilgan, Yuexing Cui, Christopher J Cramer, Omar K Farha, Joseph T Hupp
Engendering electrical conductivity in high-porosity metal-organic frameworks (MOFs) promises to unlock the full potential of MOFs for electrical energy storage, electrocatalysis, or integration of MOFs with conventional electronic materials. Here we report that a porous zirconium-node-containing MOF, NU-901, can be rendered electronically conductive by physically encapsulating C60 , an excellent electron acceptor, within a fraction ( ca. 60%) of the diamond-shaped cavities of the MOF. The cavities are defined by node-connected tetra-phenyl-carboxylated pyrene linkers, i...
May 21, 2018: Chemical Science
Ivan V Kurganskii, Michael Yu Ivanov, Matvey V Fedin
Molecular-level properties of ionic liquids (ILs) draw an increasing interest. Several informative experimental approaches for investigation of nano/miscrostructuring phenomena and local viscosity/rigidity of ILs use probe molecules sensitive to microenvironment along with suitable detection techniques. In this work we for the first time investigate capabilities of photoexcited triplet fullerenes to probe local properties of ILs, with Time-Resolved Electron Paramagnetic Resonance (TR EPR) being a sensitive detection tool...
June 12, 2018: Journal of Physical Chemistry. B
Yao Liu, Madhu Sheri, Marcus D Cole, Todd Emrick, Thomas P Russell
Polymer zwitterions were synthesized by nucleophilic ring-opening of 3,3'-(but-2-ene-1,4-diyl)bis(1,2-oxathiolane 2,2-dioxide) (a bis-sultone) with functional perylene diimide (PDI) or fullerene monomers. Integration of these polymers into solar cell devices as cathode interlayers boosted efficiencies of fullerene-based organic photovoltaics (OPVs) from 2.75% to 10.74%, and of non-fullerene-based OPVs from 4.25% to 10.10%, demonstrating the versatility of these interlayer materials in OPVs. The fullerene-containing polymer zwitterion (C60-PZ) showed a higher interfacial dipole (∆) value and electron mobility than its PDI counterpart (PDI-PZ), affording solar cells with high efficiency...
June 12, 2018: Angewandte Chemie
Dhruba B Khadka, Yasuhiro Shirai, Masatoshi Yanagida, Takeshi Noda, Kenjiro Miyano
Wide bandgap perovskite devices are promising as the top cell of silicon-perovskite tandem devices to boost the efficiency beyond the Shockley-Queisser limit. Here, we tailor the performance parameters of wide bandgap (WB) mixed halide perovskite solar cell with long alkyl chain substituted fullerene derivatives as an electron transport layer (ETL). The device with C60-fused N-methylpyrrolidine-meta-dodecyl phenyl (C60MC12) demonstrates an enhanced power conversion efficiency of 16.74 % with the record open circuit voltage (VOC) of 1...
June 11, 2018: ACS Applied Materials & Interfaces
Bruno B Ravanello, Nalin Seixas, Oscar E D Rodrigues, Rafael S da Silva, Marcos A Villetti, Andrej Frolov, Daniel G Rivera, Bernhard Westermann
Aiming at providing an efficient and versatile method for the diversity-oriented decoration and ligation of fullerenes, we report the first C60 derivatization strategy based on isocyanide-multicomponent reactions (I-MCRs). The approach comprises the use of Passerini and Ugi reactions for assembling pseudo-peptidic scaffolds (i.e., N-alkylated and depsipeptides, peptoids) on carboxylic acid-functionalized fullerenes. The method showed wide substrate scope for the oxo and isocyanide components, albeit the Ugi reaction proved efficient only for aromatic amines...
June 8, 2018: Chemistry: a European Journal
Hongli Guo, Chuanyu Zhao, Qijing Zheng, Zhenggang Lan, Oleg V Prezhdo, Wissam A Saidi, Jin Zhao
Hot electron cooling by energy loss to heat through electron-phonon (e-ph) interaction is a crucial factor to limit the efficiency in solar energy conversion. To avoid such energy loss, sufficient charge separation needs to be realized by extracting hot carriers from the photoconverter before they cool, which requires fast interfacial charge transfer and slow internal hot carrier relaxation. Using ab initio time-dependent nonadiabatic molecular dynamics and taking C60/MoS2 as a prototype system, we prove that the superatom molecular orbitals (SAMOs) of fullerenes, which are bound by the central potential of the whole molecule induced by the charge screening, are ideal media for charge separation...
June 5, 2018: Journal of Physical Chemistry Letters
Inna V Vereshchaka, Nataliya V Bulgakova, Andriy V Maznychenko, Olga O Gonchar, Yuriy I Prylutskyy, Uwe Ritter, Waldemar Moska, Tomasz Tomiak, Dmytro M Nozdrenko, Iryna V Mishchenko, Alexander I Kostyukov
The aim of this study is to detect the effects of C60 fullerenes, which possess pronounced antioxidant properties, in comparison with the actions of the known exogenous antioxidants N -acetylcysteine (NAC) and β-Alanine in terms of exercise tolerance and contractile property changes of the m. triceps surae ( TS ) during development of the muscle fatigue in rats. The electrical stimulation of the TS muscle during four 30 min series in control rats led to total reduction of the muscle contraction force. Furthermore, the effects of prior intraperitoneal (i...
2018: Frontiers in Physiology
Albert Artigas, Anna Pla-Quintana, Agustí Lledó, Anna Roglans, Miquel Solà
A novel methodology to transform C60 into a variety of open-cage fullerene derivatives employing rhodium(I) catalysis has been developed. This transformation encompasses a partially intermolecular [2+2+2] cycloaddition reaction between diynes 1 and C60 to deliver a cyclohexadiene-fused fullerene, which concomitantly undergoes a formal [4+4]/retro-[2+2+2] rearrangement to deliver open-cage fullerenes 2. Most notably, this process occurs without the need of photoexcitation. The complete mechanism of this transformation has been rationalized by DFT calculations, which indicate that, after [2+2+2] cycloaddition, the cyclohexadiene-fused intermediate evolves into the final product through a Rh-catalyzed di-π-methane rearrangement followed by a retro-[2+2+2] cycloaddition...
June 4, 2018: Chemistry: a European Journal
Guzman Gil-Ramirez, Anokhi Shah, Hassane El Mkami, Kyriakos Porfyrakis, G Andrew D Briggs, John J L Morton, Harry L Anderson, Janet E Lovett
Paramagnetic endohedral fullerenes with long spin coherence times, such as N@C60 and Y@C82 , are being explored as potential spin quantum bits (qubits). Their use for quantum information processing requires a ways to hold them in fixed spatial arrangements. Here we report the synthesis of a porphyrin-based two-site receptor 1, offering a rigid structure that binds spin-active fullerenes (Y@C82 ) at a center-to-center distance of 5.0 nm, predicted from molecular simulations. The spin-spin dipolar coupling was measured with the pulsed EPR spectroscopy technique of double electron electron resonance (DEER) and analysed to give a distance of 4...
June 2, 2018: Journal of the American Chemical Society
Christina Saller, Frank-Julian Kahle, Thomas Mueller, Tobias Hahn, Steffen Tscheuschner, Denys Priadko, Peter Strohriegl, Heinz Bässler, Anna Köhler
The degree of blending of a polymeric donor and a fullerene-type acceptor, and its evolution during the operation of an organic solar cell, are of vital importance for its performance. To this end, we developed a novel all-optical method for monitoring the diffusion of the acceptor C60 through the donor layer in a donor-acceptor bilayer film. Experimentally, we inject C60 molecules from a C60 layer into the adjacent donor layer by stepwise heating, and we measure how the photoluminescence (PL) of the donor layer becomes gradually quenched by the incoming C60 molecules...
May 30, 2018: ACS Applied Materials & Interfaces
Silvia Corradi, Giulia Mazzoccanti, Francesca Ghirga, Deborah Quaglio, Laura Nevola, Chiara Massera, Franco Ugozzoli, Giuseppe Giannini, Alessia Ciogli, Ilaria D'Acquarica
As an extension of our studies on the multifaceted properties of C-alkylated resorc[4]arenes, we planned to immobilize on a solid support resorc[4]arenes with C11-long side chains in the lower rim . To this purpose, we synthesized two conformationally diverse resorc[4]arenes containing a bromoundecyl moiety in the four axial pendants. The cone stereoisomer 6a (30% yield) was selected for the reaction with an aminopropylated silica gel (APSG) obtained from spherical Kromasil Si 100, 5 μm particles, to give the corresponding immobilized SP-C11-resorc[4]arene system...
May 29, 2018: Journal of Organic Chemistry
Javier López-Andarias, Antonio Bauzá, Naomi Sakai, Antonio Frontera, Stefan Matile
The design, synthesis and evaluation of catalytic triads composed of a central C60 fullerene with an amine base on one side and polarizability enhancers on the other side are reported. According to an enolate addition benchmark reaction, fullerene-fullerene-amine triads display the highest selectivity in anion-π catalysis observed so far, whereas NDI-fullerene-amine triads are not much better than fullerene-amine controls (NDI=naphthalenediimide). These large differences in activity are in conflict with the small differences in intrinsic π acidity, that is, LUMO energy levels and π holes on the central fullerene...
May 28, 2018: Angewandte Chemie
Chengjie Li, Klaus Wurst, Bernhard Kräutler
We describe here a di(beta,beta'-sulfoleno)pyrrin programmed for efficient and specific beta,beta'-functionalization via [4+2] cycloaddition reactions. At 120 degrees C and in the presence of an excess of C60-fullerene the di(beta, beta'-sulfoleno)pyrrin decomposed cleanly, furnishing a di(beta, beta'-fullereno)pyrrin and the corresponding monofullereno-dipyrrin in an overall yield of 96 %. Hence, relatively mild thermolysis of the di(beta, beta'-sulfoleno)pyrrin induced stepwise extrusion of two equivalents of SO2, producing highly reactive dipyrrin-beta, beta'-diene intermediates readily, providing a very effective path to [4+2]-cycloadducts...
May 26, 2018: Chemistry: a European Journal
Xi Chen, Kejian Deng, Peng Zhou, Zehui Zhang
Photocatalytic selective oxidation has attracted considerable attention as an environmentally friendly strategy for organic transformations. Some methods have been reported for the photocatalytic oxidation of sulfides into sulfoxides in recent years. However, the practical application of these processes is undermined by several challenges, such as low selectivity, sluggish reaction rates, the requirement of UV-light irradiation, the use of additives, and the instability of the photocatalyst. Herein, a metal-free C60 /graphitic carbon nitride (g-C3 N4 ) composite photocatalyst was fabricated by a facile method, and well characterized by TEM, SEM, FTIR spectroscopy, XRD, X-ray photoelectron spectroscopy, diffuse reflectance spectroscopy, and photoluminescence spectroscopy...
May 24, 2018: ChemSusChem
Irina Avilova, Ekaterina Khakina, Ol''ga Kraevaya, Alexander Kotelnikov, Raisa Kotelnikova, Pavel Troshin, Vitaliy Volkov
Self-diffusion of water-soluble fullerene derivative (WSFD) C60 [S(CH2 )3 SO3 Na]5 H in mouse red blood cells (RBC) was characterized by 1 H pulsed field gradient NMR technique. It was found that a fraction of fullerene molecules (~13% of the fullerene derivative added in aqueous RBC suspension) shows a self-diffusion coefficient of (5.5 ± 0.8)·10-12  m2 /s, which is matching the coefficient of the lateral diffusion of lipids in the erythrocyte membrane (DL  = (5.4 ± 0.8)·10-12  m2 /s). This experimental finding evidences the absorption of the fullerene derivative by RBC...
May 21, 2018: Biochimica et Biophysica Acta
Matteo Di Giosia, Paul H H Bomans, Andrea Bottoni, Andrea Cantelli, Giuseppe Falini, Paola Franchi, Giuseppe Guarracino, Heiner Friedrich, Marco Lucarini, Francesco Paolucci, Stefania Rapino, Nico A J M Sommerdijk, Alice Soldà, Francesco Valle, Francesco Zerbetto, Matteo Calvaresi
Hybrid systems have great potential for a wide range of applications in chemistry, physics and materials science. Conjugation of a biosystem to a molecular material can tune the properties of the components or give rise to new properties. As a workhorse, here we take a C60@lysozyme hybrid. We show that lysozyme recognizes and disperses fullerene in water. AFM, cryo-TEM and high resolution X-ray powder diffraction show that the C60 dispersion is monomolecular. The adduct is biocompatible, stable in physiological and technologically-relevant environments, and easy to store...
May 23, 2018: Nanoscale
Daria Smazna, Joana Rodrigues, Sindu Shree, Vasile Postica, Gero Neubüser, A F Martins, N Ben Sedrine, Naresh K Jena, Leonard Siebert, Fabian Schütt, Oleg Lupan, Rajeev Ahuja, M R Correia, Teresa Monteiro, Lorenz Kienle, Ya Yang, Rainer Adelung, Yogendra Kumar Mishra
Buckminster fullerene (C60) based hybrid metal oxide materials are receiving considerable attention because of their excellent fundamental and applied aspects, like semiconducting, electron transfer, luminescent behaviors, etc. and this work briefly discusses the successful fabrication of C60 decorated ZnO tetrapod materials and their detailed structure-property relationships including device sensing applications. The electron microscopy investigations indicate that a quite dense surface coverage of ZnO tetrapods with C60 clusters is achieved...
May 21, 2018: Nanoscale
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