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Search for "thiophene" in Full Text gives 32 result(s) in Beilstein Journal of Nanotechnology.
Self-assembled monolayers and titanium dioxide: From surface patterning to potential applications
Beilstein J. Nanotechnol. 2011, 2, 845–861, doi:10.3762/bjnano.2.94
- ,ω-dicyano substituted β,β'-dibutylquaterthiophene (DCNDBQT) molecules by forming a hydrogen bond between the cyano group of CNBTPA and a hydrogen on the thiophene ring of DCNDBQT, and by forming a hydrogen bond between the cyano group of DCNDBQT and a hydrogen on the thiophene ring of CNBTPA [90]. A
- quasi-perpendicular structure of the CNBTPA–DCNDBQT layer relative to the TiO2 surface was inferred, suggesting optimal orbital overlap between neighboring thiophene rings. The same substituted oligothiophene was then used to form a nanoscopic organic field-effect transistor (OFET), albeit not on TiO2
STM study on the self-assembly of oligothiophene-based organic semiconductors
Beilstein J. Nanotechnol. 2011, 2, 802–808, doi:10.3762/bjnano.2.88
- attached to it, and on the alkyl substitution pattern on the individual thiophene units. Theoretical calculations were performed to analyze the geometry and electronic density of the molecular orbitals as well as to analyze the intermolecular interactions, in order to obtain models of the 2-D molecular
- acid-functionalized regioregular oligo(3-hexylthiophenes), HnTCOOH, are sketched in Figure 1. The π-conjugated system, comprising the aromatic thiophene rings and being responsible for the electronic properties of the molecule, extends from 4 to 12 thiophene repeating units, and the molecular size
- conformation from the usual linear shape to a crescent shape. In Figure 6, center right (i), the five terminal thiophenes are arranged in a syn-conformation causing the observed hairpin bend. In Figure 6, center right (ii), an oligomer conformation, in which several thiophene units are in syn-arrangement
Optical properties of fully conjugated cyclo[n]thiophenes – An experimental and theoretical approach
Beilstein J. Nanotechnol. 2011, 2, 720–726, doi:10.3762/bjnano.2.78
- stable coordinatively bound metallomacrocycles, which were transformed to the corresponding diacetylene-bridged macrocycles by elimination of the metal centers and simultaneous C–C bond formation. In a final step, the diacetylene units were subsequently transformed to thiophene units forming the final
- they correlate the monomer transition energy (ω0), the magnitude of the electronic coupling between the thiophene monomers in the macromolecules (J), and the extent of the delocalized π-conjugated system [17]. Experimental The solutions were freshly prepared with chloroform (Merck, UVASOL). UV–vis
- represented by alternately substituted thiophene units, every second unit having two butyl side chains in the ß-positions leading to highly symmetrical derivatives: C8T, C12T, C16T, and C18T. Due to the pentameric starting material L5T with dibutyl substitution at thiophenes 2 and 4, in series II a different
Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study
Beilstein J. Nanotechnol. 2011, 2, 561–568, doi:10.3762/bjnano.2.60
- addressed by scanning tunneling microscopy (STM) on a single-molecule scale. Additionally, quantum chemical properties of a thiophene molecule acting as a single-molecular wire have been investigated [8]. In that specific work, however, the molecule was just weakly coupled to the metal through a thin
- at the positions of the two bonds between the thiophene rings. At higher bias, the molecules appear more rounded in STM and become almost spherical at a bias of Vt > +2.0 eV. Figure 2(a) and Figure 2(b) summarize the bias dependent morphology of 3T. The molecular height is almost independent of bias
Self-organizing bioinspired oligothiophene–oligopeptide hybrids
Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57
- self-assembly and stimuli-responsive properties, provided by the peptide moieties combined with the semiconducting properties of the thiophene blocks, can result in novel opportunities for the design of advanced smart materials. These bio-inspired molecular hybrids are experimentally shown to form
- der Waals interactions of the interdigitating long alkyl side chains. Furthermore, the planar conjugated thiophene backbone is well known to interact by π–π stacking to form larger crystalline structures. With respect to the peptide part, the L-valine-L-threonine (Val–Thr)3 sequence effectively forms
- molecular geometry of 6' and by taking into account the knowledge of the intermolecular interactions of the thiophene moieties and the calculated model of 1'. The representation of the molecule’s minimum energy conformation and its schematic representation is given by the same code as that used for the
Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces
Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48
- efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters. Keywords: computational scaling; grid computing; molecule–metal interactions; periodic density functional theory
- detailed account of our efforts to speed up vibrational correlation corrections for large systems. Next, we introduce a distributed approach for the computation of the necessary potential energy surfaces (PES). We finish the paper with two new developments: The frequencies of the thiophene molecule are
Studies towards synthesis, evolution and alignment characteristics of dense, millimeter long multiwalled carbon nanotube arrays
Beilstein J. Nanotechnol. 2011, 2, 293–301, doi:10.3762/bjnano.2.34
- CNT synthesis, growth promoters such as thiophene, pure sulfur or hydrogen, and chemical oxidants such as oxygen, organic molecules (e.g., ethanol, ethers, aldehydes, ketones) or water have been employed for preparing ultra-long, aligned CNTs [8][23][24][25]. The ratio of the carbonaceous CxHy
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