Influence of the solvent on the stability of bis(terpyridine) structures on graphite

• Daniela Künzel and
• Axel Groß

Beilstein J. Nanotechnol. 2013, 4, 269–277, doi:10.3762/bjnano.4.29

• the simulations, the influence of these effects should be negligible. Results and Discussion Validation step 1: liquid densities As a first test case, the densities of liquid water and 1,2,4-trichlorobenzene (TCB) are considered, yielding an indication as to whether the intermolecular interactions

• well also be that the solvent affects the strength of the intermolecular interactions. We have therefore estimated ΔG at 298 K taking the presence of the solvent into account. MD runs with the full surface structures including graphite, BTP and TCB were carried out corresponding to an explicit

• latter simulations. These simulations were done by using the Compass force field, which provided the most reliable results. As a result, the adsorption energies in Table 2 are obtained. These adsorption energies combine the BTP/graphite interaction with intermolecular interactions and solvent effects

Selective surface modification of lithographic silicon oxide nanostructures by organofunctional silanes

• Thomas Baumgärtel,
• Christian von Borczyskowski and
• Harald Graaf

Beilstein J. Nanotechnol. 2013, 4, 218–226, doi:10.3762/bjnano.4.22

• monolayer-terminated silicon can be divided into three major groups: (A) intermolecular interactions [10][11], (B) electrostatic/ionic interactions [12][13], and (C) covalent bonds [14][15][16][17]. Covalent attachment of molecules is thereby a most favorable method since covalent bonds possess comparable

• caused by a dense packing of the FITC molecules on the oxide structure. Measurements of the excited state lifetime are likely not suitable for the investigation of the intermolecular interactions due to the predominant quenching by the silicon below. Consequently, the most likely reason for the strong

Dipole-driven self-organization of zwitterionic molecules on alkali halide surfaces

• Laurent Nony,
• Franck Bocquet,
• Franck Para,
• Frédéric Chérioux,
• Eric Duverger,
• Frank Palmino,
• Vincent Luzet and
• Christian Loppacher

Beilstein J. Nanotechnol. 2012, 3, 285–293, doi:10.3762/bjnano.3.32

• -organization of MSPS on KCl there are two additional points that must be clarified: First, is the observed Moiré pattern an effect of coincidences between the quadratic lattices of molecules and substrates, and can the molecular lattice be regarded as being incompressible (i.e., the intermolecular interactions

An NC-AFM and KPFM study of the adsorption of a triphenylene derivative on KBr(001)

• Antoine Hinaut,
• Adeline Pujol,
• Florian Chaumeton,
• David Martrou,
• André Gourdon and
• Sébastien Gauthier

Beilstein J. Nanotechnol. 2012, 3, 221–229, doi:10.3762/bjnano.3.25

• of this monolayer (Figure 4) shows that the molecules are mobile at the border of the layer. These observations suggest an adsorption geometry close to the calculated conformation in Figure 9. Indeed, considering the high value of the adsorption energy, one does not expect the lateral intermolecular

• interactions to be strong enough to significantly affect the adsorption conformation of the single molecule. A tentative model of the MLh layer is shown in Figure 10. The unit cell vectors u and v have been chosen on the basis of the experimental values extracted from Figure 7b. They are given in terms of the

Surface functionalization of aluminosilicate nanotubes with organic molecules

• Wei Ma,
• Weng On Yah,
• Hideyuki Otsuka and
• Atsushi Takahara

Beilstein J. Nanotechnol. 2012, 3, 82–100, doi:10.3762/bjnano.3.10

• thiophene/imogolite films compared to solution indicates that additional an intermolecular interaction was present that plays a role in controlling the solid-state optical properties [65]. Fluorescence spectroscopy is a suitable analytical tool for monitoring the intermolecular interactions of terthiophene

Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group

• Einat Tirosh,
• Enrico Benassi,
• Silvio Pipolo,
• Marcel Mayor,
• Michal Valášek,
• Veronica Frydman,
• Stefano Corni and
• Sidney R. Cohen

Beilstein J. Nanotechnol. 2011, 2, 834–844, doi:10.3762/bjnano.2.93

• bonds and from intermolecular interactions in the film. These results demonstrate the power and insights gained from cutting-edge AFM technologies, and advanced computational methods. Keywords: AFM; azobenzene; elastic modulus; molecular dynamics; nanomechanics; photoswitch; quantum mechanics

• used here peaks at 730 nm, such that any quenching due to the 365 nm irradiation should be a minor effect [22]. The similarity of results from the MD (where intermolecular interactions play the dominant role) and QM (where only single-molecule stiffness is considered) models indicates that the

• individual molecular bonds and the intermolecular interactions contribute in the same sense to the relative cis–trans film stiffness. Therefore, it is likely that the higher stiffness of the cis-configuration revealed here for partially disordered molecules would hold also for a close-packed SAM of the same

STM study on the self-assembly of oligothiophene-based organic semiconductors

• Elena Mena-Osteritz,
• Marta Urdanpilleta,
• Erwaa El-Hosseiny,
• Berndt Koslowski,
• Paul Ziemann and
• Peter Bäuerle

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

• scanning tunneling microscopy. Valuable information about intermolecular interactions taking place on substrates has been obtained [5][6][7]. Although the substitution pattern is regioregular and chemically controlled, the inherent chain length dispersity of poly(3-alkylthiophenes) leads to a mesoscopic

• the devices, which are usually rendered flat by an organic hole-transporting layer. Despite the differences, a good approach to elucidate the bulk properties of the active molecules is to probe their intermolecular interactions on nonreactive substrates, such as HOPG, by means of STM. In this paper

Surface induced self-organization of comb-like macromolecules

• Konstantin I. Popov,
• Vladimir V. Palyulin,
• Martin Möller,
• Alexei R. Khokhlov and
• Igor I. Potemkin

Beilstein J. Nanotechnol. 2011, 2, 569–584, doi:10.3762/bjnano.2.61

• prominent properties of densely grafted comblike macromolecules is their high stiffness induced by strong intermolecular interactions of the side chains. It was suggested that this feature may lead to the creation of systems capable of LC ordering. Such ordering may appear in semidilute solutions of

Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study

• Berndt Koslowski,
• Anna Tschetschetkin,
• Norbert Maurer,
• Elena Mena-Osteritz,
• Peter Bäuerle and
• Paul Ziemann

Beilstein J. Nanotechnol. 2011, 2, 561–568, doi:10.3762/bjnano.2.60

• molecules exhibited almost identical interparticle distances pointing to repulsive intermolecular interactions, probably due to electrical dipoles formed by the adsorption. The lateral variation of the adsorption energy appeared to be relatively small allowing for tip-induced rotations and displacements of

Self-organizing bioinspired oligothiophene–oligopeptide hybrids

• Alexey K. Shaytan,
• Eva-Kathrin Schillinger,
• Elena Mena-Osteritz,
• Sylvia Schmid,
• Pavel G. Khalatur,
• Peter Bäuerle and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57

• the recent progress in the field of the chemistry of polymer bioconjugation in which the biconjugation with amyloidogenic peptides is one of the most frequently used techniques. The resulting interplay of intermolecular interactions is affected by both the synthetic and peptide parts, leading to an

• of compounds and moreover for polymer-bioconjugates, the available experimental evidence regarding the intermolecular interactions is in most cases limited to spectroscopic analysis (IR, UV–vis, CD spectroscopy) and diffraction patterns (X-ray, SAED) and thus the exact structural arrangement at the

• twisted short fibers of 1' on the mica substrate. Due to the hybrid nature of 1', two opposing intermolecular interactions could dominate the self-assembly process, namely H-bonding and π–π stacking. Thus, a solvent-guided strategy was employed in order to gain control over the self-assembly process

Nanophotonics, nano-optics and nanospectroscopy

• Alfred J. Meixner

Beilstein J. Nanotechnol. 2011, 2, 499–500, doi:10.3762/bjnano.2.53

• and can be regarded as a single-photon source; its optical properties demonstrate most naturally the quantum characteristics of light and reveal details of intermolecular interactions that would be otherwise hidden in an ensemble. Nanophotonics and nanospectroscopy shine light into this intriguing new

Septipyridines as conformationally controlled substitutes for inaccessible bis(terpyridine)-derived oligopyridines in two-dimensional self-assembly

• Daniel Caterbow,
• Daniela Künzel,
• Michael G. Mavros,
• Axel Groß,
• Katharina Landfester and
• Ulrich Ziener

Beilstein J. Nanotechnol. 2011, 2, 405–415, doi:10.3762/bjnano.2.46

• up surface-supported nanostructures [1][2]. Appropriately-directed intermolecular interactions are required to guarantee nearly perfect ordering of these monolayers. Hydrogen bonding interactions serve this purpose: They are directed, of intermediate strength, and adjustable [3][4]. The bis

• Figure 9 and −29.5 kJ mol−1 for the alternative conformation, thus clearly favoring the first one. A similar 2D structure is found for 4,3'-PhSpPy (16) displaying a unit cell with a = 2.8 ± 0.2 nm, b = 1.7 ± 0.2 nm, and a,b = 93 ± 3° (Figure 10). We suggest a model with the corresponding intermolecular

• interactions as for 2,3'-PhSpPy (13), i.e., the ortho-connected pyridine rings seem to dominate the packing pattern. An energetic estimation, corresponding to the considerations above, makes an alternative conformation with both nitrogen atoms of the 3-pyridyl rings pointing in the opposite direction unlikely

Intermolecular vs molecule–substrate interactions: A combined STM and theoretical study of supramolecular phases on graphene/Ru(0001)

• Michael Roos,
• Benedikt Uhl,
• Daniela Künzel,
• Harry E. Hoster,
• Axel Groß and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2011, 2, 365–373, doi:10.3762/bjnano.2.42

• intermolecular interactions and long-range lateral variations in the substrate–adsorbate interaction was studied by scanning tunnelling microscopy (STM) and force field based calculations, by comparing the phase formation of (sub-) monolayers of the organic molecules (i) 2-phenyl-4,6-bis(6-(pyridin-3-yl)-4

• exclusively populated the areas between the maxima of the moiré structure of the buckled graphene layer. The consequences for the competing intermolecular interactions and corrugation in the adsorption potential are discussed and compared with the theoretical results. Keywords: graphene film; intermolecular

• intermolecular interactions between adjacent molecules due to hydrogen bonding [1][2][3][4], covalent bonding [5][6], or, in the case of metal organic networks, by metal–ligand interactions [1][7][8][9]. In these cases, the interactions between the adlayer and the substrate, or more specifically, the local

Manipulation of gold colloidal nanoparticles with atomic force microscopy in dynamic mode: influence of particle–substrate chemistry and morphology, and of operating conditions

• Samer Darwich,
• Karine Mougin,
• Akshata Rao,
• Enrico Gnecco,
• Shrisudersan Jayaraman and
• Hamidou Haidara

Beilstein J. Nanotechnol. 2011, 2, 85–98, doi:10.3762/bjnano.2.10

• clusters [33], or as single- or multilayer coatings [34]. The manipulation of nanoparticles, especially colloidal gold NPs, by AFM can be influenced by the structural characteristics of the particle, tip and surface, in particular the intermolecular interactions between tip and particle or particle and

• results in a damage to the tip due to the high particle–substrate adhesion force. This strong adhesion between silicon substrate and hydrophilic coated nanoparticles primarily arises from intermolecular interactions. It may also involve a contribution from capillary bridges between the substrate and the

• and vacuum environment A. Effect of relative humidity The presence of surface contaminants (dust or water) affects the mobility of nanoparticles as this directly changes the intermolecular interactions between the nanoparticles and the surface. As it has been discussed in subsection 2, a contribution

Oriented growth of porphyrin-based molecular wires on ionic crystals analysed by nc-AFM

• Thilo Glatzel,
• Lars Zimmerli,
• Shigeki Kawai,
• Ernst Meyer,
• Leslie-Anne Fendt and
• Francois Diederich

Beilstein J. Nanotechnol. 2011, 2, 34–39, doi:10.3762/bjnano.2.4

• kinks of the alkali halide crystals act as trapping points for the polar molecules, preventing them from diffusing freely over the surface. Simultaneously, intermolecular interactions force the cyano-porphyrins to form π–π stacks. These wires grow along the edges, forming long one-dimensional molecular