Search results for "Molecular wire"
showing 10 items of 18 documents
Effect of structural engineering of π-spacers on anti-aggregation of D–A–π–A dyes
2019
In this paper, the encapsulated insulated molecular wire (EIMW) and 2′,7′-bis(hexyloxy)spiro[cyclopenta[2,1-b:3,4-b′]dithiophene-4,9′-fluorene] (SPDF) were specifically designed as efficient anti-aggregation π-bridges for two novel D–A–π–A metal-free sensitizers (IBT1 and IBT2). Compared with the reference dye IBT3 with 3,3′-dihexyl-2,2′-bithiophene (DHBT) as an anti-aggregation π-bridge, both the dyes IBT1 with EIMW and IBT2 with SPDF as π-bridges can suppress intermolecular aggregation more efficiently. The π-bridge of SPDF shows the strongest anti-aggregation ability due to the rigid ‘T’ configuration among these dyes. Meanwhile, the π-bridge of EIMW shows better anti-aggregation ability…
Helicate Extension as a Route to Molecular Wires
2008
We describe the preparation of a helicate containing four closely spaced, linearly arrayed copper(I) ions. This product may be prepared either directly by mixing copper(I) with a set of precursor amine and aldehyde subcomponents, or indirectly through the dimerization of a dicopper(I) helicate upon addition of 1,2-phenylenediamine. A notable feature of this helicate is that its length is not limited by the lengths of its precursor subcomponents: each of the two ligands wrapped around the four copper(I) centers contains one diamine, two dialdehyde, and two monoamine residues. This work thus paves the way for the preparation of longer oligo- and polymeric structures. DFT calculations and elec…
Effect of Metal Complexation on the Conductance of Single-Molecular Wires Measured at Room Temperature
2014
The present work aims to give insight into the effect that metal coordination has on the room-temperature conductance of molecular wires. For that purpose, we have designed a family of rigid, highly conductive ligands functionalized with different terminations (acetylthiols, pyridines, and ethynyl groups), in which the conformational changes induced by metal coordination are negligible. The single-molecule conductance features of this series of molecular wires and their corresponding Cu(I) complexes have been measured in break-junction setups at room temperature. Experimental and theoretical data show that no matter the anchoring group, in all cases metal coordination leads to a shift towar…
Phenothiazine dye featuring encapsulated insulated molecular wire as auxiliary donor for high photovoltage of dye-sensitized solar cells by suppressi…
2019
Abstract Two efficient dye-sensitized solar cells have been fabricated by two novel D–D–π–A phenothiazine-based organic dyes (PH2 and PH3) with an encapsulated insulated molecular wire (EIMW) as an auxiliary donor. The cell sensitized by PH2 with EIMW as an auxiliary donor shows a much higher photovoltage (Voc) relative to the reference dye PH1 without EIMW, because the former dye can inhibit dye aggregation and suppress the charge recombination effectively. The results show that the cell sensitized by PH2 with co-adsorption of chenodeoxycholic acid obtains a high power conversion efficiency, even higher than that of the cell based on N719. Thus, an effective way to increase the photovoltag…
Buckyballs
2013
Buckyballs represent a new and fascinating molecular allotropic form of carbon that has received a lot of attention by the chemical community during the last two decades. The unabating interest on this singular family of highly strained carbon spheres has allowed the establishing of the fundamental chemical reactivity of these carbon cages and, therefore, a huge variety of fullerene derivatives involving [60] and [70]fullerenes, higher fullerenes, and endohedral fullerenes have been prepared. Much less is known, however, of the chemistry of the uncommon non-IPR fullerenes which currently represent a scientific curiosity and which could pave the way to a range of new fullerenes. In this revi…
Tetrathiafulvalene-based molecular nanowires.
2008
A new molecular wire suitably functionalized with sulfur atoms at terminal positions and endowed with a central redox active TTF unit has been synthesized and inserted within two atomic-sized Au electrodes; electrical transport measurements have been performed in STM and MCBJ set-ups in a liquid environment and reveal conductance values around 10(-2) G0 for a single molecule.
Mimicking photosynthesis: covalent [60]fullerene-based donor–acceptor ensembles
2004
Abstract Within the context of exploring photophysical properties of [60]fullerene-based donor–acceptor ensembles, we highlight in this contribution an approach towards the synthesis of a novel series of donor-bridge-acceptor, C 60 –wire– ex TTF , ensembles that incorporate p -phenylenevinylene oligomers, in which the conjugation length has been systematically increased, as bridges that connect π-extended tetrathiafulvalenes (exTTF) (electron donor) with [60]fullerene (electron acceptor). This molecular design allows probing the effects of distance and rate, at which electron transfer processes occur, as well as the molecular-wire behavior of the oligo-PPV fragments.
Intrinsic electrical conductivity of nanostructured metal-organic polymer chains
2012
One-dimensional conductive polymers are attractive materials because of their potential in flexible and transparent electronics. Despite years of research, on the macro- and nano-scale, structural disorder represents the major hurdle in achieving high conductivities. Here we report measurements of highly ordered metal-organic nanoribbons, whose intrinsic (defect-free) conductivity is found to be 104 S m−1, three orders of magnitude higher than that of our macroscopic crystals. This magnitude is preserved for distances as large as 300 nm. Above this length, the presence of structural defects (~ 0.5%) gives rise to an inter-fibre-mediated charge transport similar to that of macroscopic crysta…
Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
2012
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applicational and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density-functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only single dephasing parameter. We investigated the length dependence and the inf…
MMX Chains and Molecular Species Containing Rh 2 n+ ( n = 4, 5, and 6) Units: Electrical Conductivity in Crystal Phase of MMX Polymers
2010
The control of the experimental conditions in the reaction of Rh 2 (O 2 CCH 3 ) 4 with halides allows the isolation of the novel dirhodium complexes K x [Rh 2 X(O 2 CCH 3 ) 4 ] x ·4xH 2 O (X = Br, 1·4H 2 O and I, 2·4H 2 O) [Rh 2 (O 2 CCH 3 ) 4 Cl] x H 2 O (3·H 2 O), [Rh 2 (O 2 CCH 3 )Cl] x ·4xH 2 O (3·4H 2 O), and {Rh 2 (O 2 CCH 3 ) 4 I 2 ]· 4H 2 0 (4·4H 2 O) containing Rh 2 n+ (n = 4, 5 and 6) units. The X-ray structure determination of compounds 1-4 reveals the presence of dirhodium units in different oxidation states. The polyanionic complexes 1·4H 2 O and 2·4H 2 O containing Rh 2 4+ units give zig-zag chains. In contrast, the partially oxidized complexes 3·H 2 O and 3·4H 2 O containing …