Spectroscopic studies of n-donor - σ-acceptor systems: Carbonyl and thiocarbonyl compounds as donors

The interaction of ketones and various thiocarbonyl derivatives with iodine has been examined. The thermodynamics of the interaction of carbonyl and thiocarbonyl donors have been discussed and compared.

Preparation, Characterization And Properties Of C-60 And C-70 - Spectroscopy, Structure, Anions, Interaction With Electron-Donors And Superconductivity

Preparation and characterization of the fullerenes, C60 and C70, are described in detail, including the design of the generators fabricated locally. The characterization techniques employed are UV-visible, IR, Raman and C-13 NMR spectroscopies, scanning as well as transmission electron microscopy and mass spectrometry. The electron energy level diagram of C60 as well as the one-electron reductions of C60 and C70 leading to various anions are discussed. Electronic absorption spectra of C60- and C60(2-) are reported. Phase transitions from the plastic to the crystalline states of C60 and C70 are examined. Based on a C-13 NMR study in a mixture of nematic liquid crystals, it has been demonstrated that C60 retains its extraordinary symmetry in solution phase as well. Interaction of C60 and C70 with strong electron-donor molecules has been investigated employing cyclic voltammetry. Superconductivity of K(x)C60 has been studied by non-resonant microwave absorption; Na(x)C60 as well as K(c)C70 are shown to be non-superconducting. Doping C60 with iodine does not make it superconducting. Interaction of C60 with SbCl5 and liquid Br2 gives rise to halogenated products.

Synthesis of some functionalised isomeric bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and dithiophenetetrathiafulvalene (DTTTF) pi-donors

The synthesis of some functionalised isomeric, symmetrical tetrathiafulvalene derivatives containing 4,5-(ethylenedithio)-1,3-dithiole and 4,5-(propylenedithio)-1,3-dithiole units is described. These contain hydroxy, chloro and cyano functionalities (4, 6, 9 and 12). Interestingly, attempted coupling of 4,5-bis(propargylthio)-1,3-dithiole-2-thione 13, to obtain the corresponding TTF, 14 afforded the novel thione, 5-methylthieno[2,3-d]-1,3-dithiole-2-thione 15. Self coupling of thione 15 in the presence of trimethyl phosphite afforded new functionalised dithiophenetetrathiafulvalene 16. The X-ray crysal structures of 4,5-bis(propargyldithio)-1,3-dithiole-2-thione 13 and 5-methylthieno[2,3-d]-1,3-dithiole-2-thione 15 are described. (C) 1997 Elsevier Science Ltd.

Solution processable diketopyrrolopyrrole (DPP) cored small molecules with BODIPY end groups as novel donors for organic solar cells

Two novel triads based on a diketopyrrolopyrrole (DPP) central core and two 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) units attached by thiophene rings have been synthesised having high molar extinction coefficients. These triads were characterised and used as donor materials in small molecule, solution processable organic solar cells. Both triads were blended with PC71BM as an acceptor in different ratios by wt% and their photovoltaic properties were studied. For both the triads a modest photovoltaic performance was observed, having an efficiency of 0.65%. Moreover, in order to understand the ground and excited state properties and vertical absorption profile of DPP and BODIPY units within the triads, theoretical DFT and TDDFT calculations were performed.

Template-free coordination-driven self-assembly of discrete hexanuclear prismatic cages employing half-sandwich octahedral Ru-2(II) acceptors and triimidazole donors

Coordination-driven self-assembly of dinuclear half-sandwich p-cymene ruthenium(II) complexes Ru-2(mu-eta(4)-C2O4)(CH3OH)(2)(eta(6)-p-cymene)(2)](O3SCF3)(2) (1a) and Ru-2(mu-eta(4)-C6H2O4)(CH3OH)(2)(eta(6)-p-cymene)(2)](O3SCF3)(2) (1b) separately with imidazole-based tritopic donors (L-1-L-2) in methanol yielded a series of hexanuclear 3+2] trigonal prismatic cages (2-5), respectively L-1 = 1,3,5-tris(imidazole-1-yl) benzene; L-2 = 4,4',4 `'-tris(imidazole-1-yl) triphenylamine]. All the self-assembled cages 2-5 were characterized by various spectroscopic techniques (multinuclear NMR, Infra-red and ESI-MS) and their sizes, shapes were obtained through geometry optimization using molecular mechanics universal force field (MMUFF) computation. Despite the possibility due to the free rotation of donor sites of imidazole ligands, of two different atropoisomeric prismatic cages (C-3h or C-s) and polymeric product, the self-selection of single (C(3)h) conformational isomeric cages as the only product is a noteworthy observation. (C) 2015 Elsevier B.V. All rights reserved.

Hydrazides and hydrazones as versatile Michael-Donors for iminium-catalyzed conjugate addition reactions

396 : il., graf.

A behavior model for blood donors and marketing strategies to retain and attract them

Objective: analyze and propose a theoretical model that describes blood donor decisions to help staff working in blood banks (nurses and others) in their efforts to capture and retain donors. Methods: analysis of several studies on the motivations to give blood in Spain over the last six years, as well as past literature on the topic, the authors' experiences in the last 25 years in over 15 Non Governmental Organizations with different levels of responsibilities, their experiences as blood donors and the informal interviews developed during those 25 years. Results: a model is proposed with different internal and external factors that influence blood donation, as well as the different stages of the decision-making process. Conclusion: the knowledge of the donation process permits the development of marketing strategies that help to increase donors and donations.

Human immunodeficiency virus-1 genotypic drug resistance among volunteer blood donors in Yunnan, China

BACKGROUND: Drug resistance profiles of human immunodeficiency virus-1 (HIV-1) in treatment-naive infections have been reported in developed countries. However, little is known in developing countries, including China, especially in treatment-naive volunt

Mutual passivation of donors and isovalent nitrogen in GaAs

We study the mutual passivation of shallow donor and isovalent N in GaAs. We find that all the donor impurities, Si-Ga, Ge-Ga, S-As, and Se-As, bind to N in GaAsN, which has a large N-induced band-gap reduction relative to GaAs. For a group-IV impurity such as Si, the formation of the nearest-neighbor Si-Ga-N-As defect complex creates a deep donor level below the conduction band minimum (CBM). The coupling between this defect level with the CBM pushes the CBM upwards, thus restoring the GaAs band gap; the lowering of the defect level relative to the isolated Si-Ga shallow donor level is responsible for the increased electrical resistivity. Therefore, Si and N mutually passivate each other's electrical and optical activities in GaAs. For a group-VI shallow donor such as S, the binding between S-As and N-As does not form a direct bond; therefore, no mutual passivation exists in the GaAs(S+N) system.

Residual donors and compensation in metalorganic chemical vapor deposition as-grown n-GaN

In our recent report, [Xu , Appl. Phys. Lett. 76, 152 (2000)], profile distributions of five elements in the GaN/sapphire system have been obtained using secondary ion-mass spectroscopy. The results suggested that a thin degenerate n(+) layer at the interface is the main source of the n-type conductivity for the whole film. The further studies in this article show that this n(+) conductivity is not only from the contribution of nitride-site oxygen (O-N), but also from the gallium-site silicon (Si-Ga) donors, with activation energies 2 meV (for O-N) and 42 meV (for Si-Ga), respectively. On the other hand, Al incorporated on the Ga sublattice reduces the concentration of compensating Ga-vacancy acceptors. The two-donor two-layer conduction, including Hall carrier concentration and mobility, has been modeled by separating the GaN film into a thin interface layer and a main bulk layer of the GaN film. The bulk layer conductivity is to be found mainly from a near-surface thin layer and is temperature dependent. Si-Ga and O-N should also be shallow donors and V-Ga-O or V-Ga-Al should be compensation sites in the bulk layer. The best fits for the Hall mobility and the Hall concentration in the bulk layer were obtained by taking the acceptor concentration N-A=1.8x10(17) cm(-3), the second donor concentration N-D2=1.0x10(18) cm(-3), and the compensation ratio C=N-A/N-D1=0.6, which is consistent with Rode's theory. Saturation of carriers and the low value of carrier mobility at low temperature can also be well explained. (C) 2001 American Institute of Physics.

Binding energy of excitons bound to neutral donors in two-dimensional semiconductors

The binding energies of excitons bound to neutral donors in two-dimensional (2D) semiconductors within the spherical-effective-mass approximation, which are nondegenerate energy bands, have been calculated by a variational method for a relevant range of the effective electron-to-hole mass ratio sigma. The ratio of the binding energy of a 2D exciton bound to a neutral donor to that of a 2D neutral donor is found to be from 0.58 to 0.10. In the limit of vanishing sigma and large sigma, the results agree fairly well with previous experimental results. The results of this approach are compared with those of earlier theories.

Effects of Hydrogen Plasma Treatment on the Electrical and Optical Properties of ZnO Films: Identification of Hydrogen Donors in ZnO

Wurtzite ZnO has many potential applications in optoelectronic devices, and the hydrogenated ZnO exhibits excellent photoelectronic properties compared to undoped ZnO; however, the structure of H-related defects is still unclear. In this article, the effects of hydrogen-plasma treatment and subsequent annealing on the electrical and optical properties of ZnO films were investigated by a combination of Hall measurement, Raman scattering, and photoluminescence. It is found that two types of hydrogen-related defects, namely, the interstitial hydrogen located at the bond-centered (H-BC) and the hydrogen trapped at a O vacancy (H-O), are responsible for the n-type background conductivity of ZnO films. Besides introducing two hydrogen-related donor states, the incorporated hydrogen passivates defects at grain boundaries. With increasing annealing temperatures, the unstable H-BC atoms gradually diffuse out of the ZnO films and part of them are converted into H-O, which gives rise to two anomalous Raman peaks at 275 and 510 cm(-1). These results help to clarify the relationship between the hydrogen-related defects in ZnO described in various studies and the free carriers that are produced by the introduction of hydrogen.