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Fullerene C60

Stuart J Elliott, Christian Bengs, Karel Kouril, Benno Meier, Shamim Alom, Richard J Whitby, Malcolm Harris Levitt
The 17O isotopomer of the water-endofullerene H2O@C60 displays a remarkable proton NMR spectrum, with six well resolved peaks. These peaks are due to the J-coupling between the water protons and the 17O nucleus, which has spin-5/2. The resolution of these peaks is enabled by the suppression of water proton exchange by the fullerene cage. The six peaks display an unusual pattern of linewidths, which we model by a Liouville-space treatment of scalar relaxation due to quadrupolar relaxation of the 17O nuclei. The data are consistent with rotational diffusion of the water molecule on the sub-picosecond timescale...
December 13, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Yukihide Ishibashi, Miya Arinishi, Tetsuro Katayama, Hiroshi Miyasaka, Tsuyoshi Asahi
Femtosecond excited-state dynamics of fullerene-C60 nanoparticles (nC60) having a mean size of 50 nm dispersed in pure water was studied by means of femtosecond transient absorption spectroscopy. The intermolecular charge-transfer (CT) excited state in solid C60 was directly and firstly observed by femtosecond 350 nm and 420 nm excitations, and its intrinsic lifetime of 0.35 ps was found. The CT excited state relaxed to the locally excited S1 state and excimers or directly to the ground state through geminate charge recombination...
December 12, 2017: Physical Chemistry Chemical Physics: PCCP
Reed Nieman, Hsinhan Tsai, Wanyi Nie, Adelia J A Aquino, Aditya D Mohite, Sergei Tretiak, Hao Li, Hans Lischka
Organic photovoltaic donor-acceptor junction devices composed of π-conjugated polymer electron donors (D) and fullerene electron acceptors (A) show greatly increased performance when a spacer material is inserted between the two layers (W. Y. Nie, G. Gupta, B. K. Crone, F. L. Liu, D. L. Smith, P. P. Ruden, C. Y. Kuo, H. Tsai, H. L. Wang, H. Li, S. Tretiak and A. D. Mohite, Adv. Sci., 2015, 2, 1500024.). For instance, experimental results reveal significant improvement of photocurrent when a terthiophene oligomer derivative is inserted in between π-conjugated poly(3-hexylthiophene-2,5-diyl) (P3HT) donor and C60 acceptor...
December 11, 2017: Nanoscale
Parveen Sood, Ki Chul Kim, Seung Soon Jang
The high electron affinity of fullerene C60 coupled with the rich chemistry of carbon makes it a promising material for cathode applications in lithium-ion batteries. Since boron has one less electron than carbon, the presence of boron on C60 cage is expected to generate electron deficiency in C60, and thereby to enhance the electron affinity of C60. Using density functional theory (DFT), we studied the redox potentials and electronic properties of C60 and C59B. We have found that doping C60 with one boron atom results in a substantial increase in redox potential from 2...
December 7, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Alireza Nemati, Hossein Nejat Pishkenari, Ali Meghdari, Saeed Sohrabpour
A new method for guiding the motion of fullerene and fullerene-based nanocars is introduced in this paper. The effects of non-flat substrates on the motion of C60, a nanocar and a nanotruck are investigated at different conditions and temperatures. Their behavior is studied using two different approaches: analyzing the variation in potential energy and conducting all-atom classical molecular dynamics simulations. This paper proposes that the use of a stepped substrate will make their motion more predictable and controllable...
December 6, 2017: Physical Chemistry Chemical Physics: PCCP
Qin Tang, Partha Bairi, Rekha Goswami Shrestha, Jonathan P Hill, Katsuhiko Ariga, Haibo Zeng, Qingmin Ji, Lok Kumar Shrestha
Fullerene C60 microbelts were fabricated using liquid-liquid interfacial precipitation method and converted into quasi 2D mesoporous carbon microbelts by heat-treatment at elevated temperatures of 900 and 2000 ○C. The carbon microbelts obtained by heat-treatment of fullerene C60 microbelts at 900 ○C showed excellent electrochemical supercapacitive performance exhibiting high specific capacitances ca. 360 F g-1 (at 5 mV s-1) and 290 F g-1 (at 1 A g-1) due to the enhanced surface area and robust mesoporous framework structure...
December 6, 2017: ACS Applied Materials & Interfaces
Alejandro Valderrama, Radamés Reynoso, Raúl W Gómez, Manuel Quintana, Martín Romero
First principles calculations have been performed for C60@C180 carbon double-layer endofullerenes with up to: three diatomic radioiodine molecules (131I2), two potassium radio-iodide (K131I), and three sodium radio-iodide (Na131I) inside. The plane-wave pseudopotential (PP) method within the general gradient approximation (GGA) in the framework of the density functional theory (DFT) and time-dependent DFT (TD-DFT) was used to perform geometric optimizations (GOs) and molecular dynamics (MD) at 310 K and atmospheric pressure...
December 4, 2017: Journal of Molecular Modeling
Zhiwei Lin, Xing Yang, Hui Xu, Tsuneaki Sakurai, Wakana Matsuda, Shu Seki, Yangbin Zhou, Jian Sun, Kuan-Yi Wu, Xiaoyun Yan, Ruimeng Zhang, Mingjun Huang, Jialin Mao, Chrys Wesdemiotis, Takuzo Aida, Wei Zhang, Stephen Z D Cheng
Spontaneous organizations of designed elements with explicit shape and symmetry are essential for developing useful structures and materials. We report the topologically directed assemblies of four categories (a total of 24) of sphere-rod conjugates, composed of a sphere-like fullerene (C60) derivative and a rod-like oligo-fluorene(s) (OF), both of which are promising organic semiconductor materials. Although the packing of either spheres or rods has been well-studied, conjugates having both shapes substantially enrich resultant assembled structures...
December 4, 2017: Journal of the American Chemical Society
Ândrea Barbosa Kraemer, Gustavo Morrone Parfitt, Daiane da Silva Acosta, Gisele Eva Bruch, Marcos Freitas Cordeiro, Luis Fernando Marins, Juliane Ventura-Lima, José María Monserrat, Daniela Martí Barros
The buckminsterfullerene (C60) is considered as a relevant candidate for drug and gene delivery to the brain, once it has the ability to cross the blood-brain barrier. However, the biological implications of this nanomaterial are not fully understood, and its safety for intracerebral delivery is still debatable. In this study, we investigated if C60 particle size could alter its biological effects. For this, two aqueous C60 suspensions were used with maximum particle size up to 200nm and 450nm. The suspensions were injected in the hippocampus, the main brain structure involved in memory processing and spatial localization...
November 27, 2017: Toxicology and Applied Pharmacology
Airat R Tuktarov, Artur A Khuzin, Artur R Tulyabaev, Natal'ya R Popod'ko, Usein M Dzhemilev
A new method for functionalization of fullerenes based on the reaction between in situ generated aryl- or hetaryl-containing 1,3,5-perhydrotriazines and EtMgBr in the presence of Ti(Oi-Pr)4 has been developed. The cleavage of the triazine ring under previously developed conditions1-6 results in the formation of aminomethylated derivatives of fullerene C60 with high yields (80-90%) and selectivity (~ 90%).
November 28, 2017: Journal of Organic Chemistry
Nicholas Yu Borovkov, Natalya S Lebedeva, Yuri A Gubarev, Arkadiy M Kolker
The physicochemical behavior of fullerene C60 in hydrocarbon solvents was examined by isothermal titration calorimetry, photocalorimetry, and UV spectroscopy. The obtained data are summarized to substantiate an idea of the binary fullerene/solvent cluster as a colloidal nanoentity that moderates the noncovalent interactions of the C60 molecule in solution. This idea serves for understanding the complex physicochemical behavior of tert-butyl-substituted phthalocyanine in C60-saturated o-xylene under illumination with low-energy photons...
November 27, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Jing Wu, Junlin He, Chengli Zhang, Jun Chen, Yazhen Niu, Qiqi Yuan, Chao Yu
Single nucleotide polymorphism (SNP) in lipoprotein lipase (LPL) gene (rs1801177) is strongly associated with the increased progression of atherosclerosis, threatening global public health. In this work, a relatively simple, specific and ultrasensitive electrochemical DNA biosensor was constructed to detect rs1801177 for the first time. A glass carbon electrode was modified with fullerene (C60)/polyamidoamine (PAMAM)/gold (Au) nanoparticles nanocomposites film. In addition the nitrogen-doped graphene (N-G)/palladium platinum (PdPt) bimetallic nanoparticle/ polyaniline (PANI) nanohybrids were synthesised and used to label the signal probes...
November 21, 2017: Biosensors & Bioelectronics
Zhiping Wang, Ying Zhou, Tetsuhiko Miyadera, Masayuki Chikamatsu, Yuji Yoshida
We demonstrate that a poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate)/diindenoperylene (PEDOT:PSS/DIP) interfacial bilayer could serve as a structural template to enable the morphological control of bulkhetejunction by co-evaporation of tetraphenyldibenzoperiflanthene:fullerene(DBP:C60), which greatly improves the device performances. Especially, we show that isolated crystalline domains of C60 can be well controlled at nanoscale during the co-evaporation. Photoluminescence spectra indicate the realization of DIP/DBP cascade energy architecture, which significantly facilitates the photocurrent generation and energy transfer...
November 27, 2017: ACS Applied Materials & Interfaces
Bruno Concina, Franck Lépine, Christian Bordas
A detailed-balance model for thermionic emission from polyanions has been developed and applied to fullerene dianions. The specificity of this delayed decay process is electron tunneling through the repulsive Coulomb barrier (RCB). An analytical expression of the RCB is derived from electrostatic modeling of the fullerene cage. The reverse process, namely, electron attachment to the singly charged anion, is described by a hard sphere cross section weighted by the Wentzel-Kramers-Brillouin tunneling probability...
June 14, 2017: Journal of Chemical Physics
Kai-En Hung, Che-En Tsai, Shao-Ling Chang, Yu-Ying Lai, U-Ser Jeng, Fong-Yi Cao, Chain-Shu Hsu, Chun-Jen Su, Yen-Ju Cheng
A new class of additive materials bis(pentafluorophenyl) diesters (BFEs) where the two pentafluorophenyl (C6F5) moieties are attached at the both ends of a linear aliphatic chain with tunable tether lengths (BF5, BF7, and BF13) were designed and synthesized. In the presence of the BF7 to restrict the migration of fullerene by hand-grabbing-like supramolecular interactions induced between the C6F5 groups and the surface of fullerene, the P3HT:PC61BM:BF7 device showed stable device characteristics after thermal heating at 150 oC for 25 h...
November 22, 2017: ACS Applied Materials & Interfaces
Yuta Takano, Reina Munechika, Vasudevanpillai Biju, Hideyoshi Harashima, Hiroshi Imahori, Yuma Yamada
It has been known for decades that intracellular redox reactions control various vital functions in living systems, which include the synthesis of biomolecules, the modulation of protein functions, and cell signaling. Although there have been several reports on the control of such functions using DNA and RNA, the non-invasive optical control of biological functions is an important ongoing challenge. In this study, a hybrid of an electron donor-acceptor linked molecule based on a ferrocene(Fc)-porphyrin(ZnP)-fullerene(C60) analogue and an elaborately designed nano-carrier, referred to herein as a MITO-Porter, resulted in a successful photoinduced intermolecular electron transfer reaction via the long-lived intramolecular charge separation, leading to site-specific reductive reactions in the mitochondria of living HeLa cells...
November 22, 2017: Nanoscale
Hyunbok Lee, Sun Woo Ahn, Sim Hee Ryu, Bo Kyung Ryu, Myeung Hee Lee, Sang Wan Cho, Kevin E Smith, Tim S Jones
In organic photovoltaics (OPVs), determining the energy-level alignment of a donor and an acceptor is particularly important since the interfacial energy gap between the highest occupied molecular orbital (HOMO) level of a donor and the lowest unoccupied molecular orbital (LUMO) level of an acceptor (E-E) gives the theoretical maximum value of the open-circuit voltage (VOC). To increase the E-E, non-fullerene acceptors, which have a lower electron affinity (EA) than C60, are receiving increasing attention. In this study, we investigated the energy-level alignment at the interface of a boron chloride subphthalocyanine (SubPc) donor and a halogenated SubPc (Cl6SubPc) acceptor using soft X-ray spectroscopy techniques...
November 22, 2017: Physical Chemistry Chemical Physics: PCCP
Qiqi Yuan, Junlin He, Yazhen Niu, Jun Chen, Yilin Zhao, Yuchan Zhang, Chao Yu
α2,3-sialylated glycans (α2,3-sial-Gs) are one of the significant tumour biomarkers for the early diagnosis of cancer. In this work, a neoteric sandwich-type biosensor was developed for detecting α2,3-sial-Gs using 4-mercaptophenylboronic acid (4-MPBA) to construct a novel molecular recognition system by the coordination of a boron atom of 4-MPBA to the amide group of Neu5Ac in the α2,3-sial-Gs structure. Amino-functionalized fullerene coupled with palladium-platinum bimetallic alloy nanocrystals (n-C60-PdPt) was synthesized to modify the surface of a glassy carbon electrode (GCE) because the n-C60 nanomaterial affords a large surface area for the on-site reduction of bimetallic alloy nanoparticles and an excellent capacity for electron transfer...
November 18, 2017: Biosensors & Bioelectronics
Alberto Brambilla, Andrea Picone, Dario Giannotti, Alberto Calloni, Giulia Berti, Gianlorenzo Bussetti, Simona Achilli, Guido Fratesi, Mario I Trioni, Giovanni Vinai, Piero Torelli, Giancarlo Panaccione, Lamberto Duò, Marco Finazzi, Franco Ciccacci
Interfaces between organic semiconductors and ferromagnetic metals offer intriguing opportunities in the rapidly developing field of organic spintronics. Understanding and controlling the spin-polarized electronic states at the interface is the key toward a reliable exploitation of this kind of systems. Here we propose an approach consisting in the insertion of a two-dimensional magnetic oxide layer at the interface with the aim of both increasing the reproducibility of the interface preparation and offering a way for a further fine control over the electronic and magnetic properties...
November 22, 2017: Nano Letters
Peter M Felker, Vojtěch Vlček, Isaac Hietanen, Stephen FitzGerald, Daniel Neuhauser, Zlatko Bačić
Symmetry breaking has been recently observed in the endofullerenes M@C60 (M = H2, HF, H2O), manifesting in the splittings of the three-fold degenerate ground states of the endohedral ortho-H2, ortho-H2O and the j = 1 level of HF. The nature of the interaction causing the symmetry breaking is established in this study. A fragment of the solid C60 is considered, comprised of the central C60 molecule surrounded by twelve nearest-neighbor (NN) C60 molecules. The fullerenes have either P (major) or H (minor) orientational orderings, and are assumed to be rigid with Ih symmetry...
November 17, 2017: Physical Chemistry Chemical Physics: PCCP
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