Molecular assemblies on surfaces: towards physical and electronic decoupling of organic molecules

• Sabine Maier and
• Meike Stöhr

Beilstein J. Nanotechnol. 2021, 12, 950–956, doi:10.3762/bjnano.12.71

• molecular conformation by planarizing the carbon backbone as well as the self-assembly. Hurdax et al. [89] suggested that work function measurements before and after the adsorption of molecules should give insight into the electronic and physical decoupling. It should be noted that metal oxide thin films

Protruding hydrogen atoms as markers for the molecular orientation of a metallocene

• Linda Laflör,
• Michael Reichling and
• Philipp Rahe

Beilstein J. Nanotechnol. 2020, 11, 1432–1438, doi:10.3762/bjnano.11.127

• model (PPM) [23] calculations using CO and Xe tips. Our analysis suggest that contrast formation is governed by repulsion between the tip and the hydrogen atoms serving as markers for the molecular conformation. Experimental Scanning probe microscopy experiments were performed on CaF2(111) bulk and CaF2

• staggered molecular conformation [22]. The protruding hydrogen atoms align in this geometry along a different direction with respect to geo 1 due to the partly staggered conformation of the Cp rings. The corresponding PPM image calculations with identical simulation parameters as before for a CO tip are

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• macroscopic motions at the air–water interface. The regulation of molecular conformation at interfacial media can be utilized for the tuning of molecular sensing. The structural tuning of an octacoordinate Na+ complex of a cholesterol-substituted cyclen with twisting helicity at the air–water interface was

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

• Luiza Buimaga-Iarinca and
• Cristian Morari

Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70

• that Kondo effect of organo-metallic compounds adsorbed on coinage metals is sensitive to the manipulation of the chemical bonds [73][74]. The Kondo effect in Co-porphyrins on Au(111) can be switched on or off by binding a NO group to the molecule [73]. Also, the changes in molecular conformation can

Non-intuitive clustering of 9,10-phenanthrenequinone on Au(111)

• Ryan D. Brown,
• Rebecca C. Quardokus,
• Natalie A. Wasio,
• Jacob P. Petersen,
• Angela M. Silski,
• Steven A. Corcelli and
• S. Alex Kandel

Beilstein J. Nanotechnol. 2017, 8, 1801–1807, doi:10.3762/bjnano.8.181

• topography image containing a region of disordered molecules and rectangular tetramers, with some representative tetramers highlighted in blue. A composite image of the 59 fully-resolved tetramers present in this image is shown in panel b), with the proposed molecular conformation as an overlay. The average

Controlled supramolecular structure of guanosine monophosphate in the interlayer space of layered double hydroxide

• Gyeong-Hyeon Gwak,
• Istvan Kocsis,
• Yves-Marie Legrand,
• Mihail Barboiu and
• Jae-Min Oh

Beilstein J. Nanotechnol. 2016, 7, 1928–1935, doi:10.3762/bjnano.7.184

• ) as a model molecule. First, we prepared LDHs with exchangeable anions and intercalated GMP through an ion exchange reaction. We evaluated the molecular conformation of GMP in the interlayer space of LDH by varying the GMP/Al3+ (in LDH) molar ratio and the reaction temperature. This was revealed that

Probing the local environment of a single OPE3 molecule using inelastic tunneling electron spectroscopy

• Riccardo Frisenda,
• Mickael L. Perrin and
• Herre S. J. van der Zant

Beilstein J. Nanotechnol. 2015, 6, 2477–2484, doi:10.3762/bjnano.6.257

• fluctuations caused by different molecular configurations. Our findings provide a way to gain additional information regarding the molecule–electrode interaction, in particular, the interesting interplay between molecular conformation, vibrations and charge transport. (a) Schematic of the inelastic electron

Conformational switching of ethano-bridged Cu,H₂-bis-porphyrin induced by aromatic amines

• Simona Bettini,
• Emanuela Maglie,
• Rosanna Pagano,
• Victor Borovkov,
• Yoshihisa Inoue,
• Ludovico Valli and
• Gabriele Giancane

Beilstein J. Nanotechnol. 2015, 6, 2154–2160, doi:10.3762/bjnano.6.221

• films, the maximum absorption peak was the same and centered at 414 nm suggesting that the molecular conformation was not changed with the deposition process retaining essentially the closed syn-form as in the case of the floating Cu,H2-Por2 Langmuir film. The linear relationship between the number of

Conductance through single biphenyl molecules: symmetric and asymmetric coupling to electrodes

• Karthiga Kanthasamy and
• Herbert Pfnür

Beilstein J. Nanotechnol. 2015, 6, 1690–1697, doi:10.3762/bjnano.6.171

• shorter. The shorter plateaus may be again a hint for the weaker bond formed by the nitrile end group compared to thiol. From Figure 3 it is clear that the length of the conductance plateaus is not always the same, presumably because of changes in bonding sites, or of molecular conformation between the

• stable conductance conditions were obtained with several samples, which shows that a specific single molecular conformation is favorable giving rise to molecular conductance. The conductance for the M1 molecule was found to be stable around 0.01G0, but there are some fluctuations over time, possibly due

Synthesis, characterization, monolayer assembly and 2D lanthanide coordination of a linear terphenyl-di(propiolonitrile) linker on Ag(111)

• Zhi Chen,
• Svetlana Klyatskaya,
• José I. Urgel,
• David Écija,
• Olaf Fuhr,
• Willi Auwärter,
• Johannes V. Barth and
• Mario Ruben

Beilstein J. Nanotechnol. 2015, 6, 327–335, doi:10.3762/bjnano.6.31

• -donor atom from the sterically hindering α-C–H group at the phenyl ring. ORTEP plot of compound 2. Ellipsoids were drawn at a 30% level of probability for all non-hydrogen atoms, indicating the numbering scheme (a); 3D visualization of the molecular conformation (view along direction a) (b); and the

Localized surface plasmon resonances in nanostructures to enhance nonlinear vibrational spectroscopies: towards an astonishing molecular sensitivity

• Dan Lis and
• Francesca Cecchet

Beilstein J. Nanotechnol. 2014, 5, 2275–2292, doi:10.3762/bjnano.5.237

Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects

• Hlengisizwe Ndlovu,
• Alison E. Ashcroft,
• Sheena E. Radford and
• Sarah A. Harris

Beilstein J. Nanotechnol. 2013, 4, 429–440, doi:10.3762/bjnano.4.50

• number (total of 16), and the y-axis is time in picoseconds. Molecular conformation of the capped Class6-AP fibril prior to SMD simulation. The misaligned peptide strands on the purple β-sheet, highlighted in grey, are significantly splayed and have reduced interpeptide hydrogen bonding. This structural

X-ray spectroscopy characterization of self-assembled monolayers of nitrile-substituted oligo(phenylene ethynylene)s with variable chain length

• Hicham Hamoudi,
• Ping Kao,
• Alexei Nefedov,
• David L. Allara and
• Michael Zharnikov

Beilstein J. Nanotechnol. 2012, 3, 12–24, doi:10.3762/bjnano.3.2

• the experimental spectrum of NC-OPE3/Au much better than does the calculated curve for the twisted conformation of NC-OPE3. This supports our above conclusion about the planar molecular conformation of NC-OPE3/Au in the respective SAMs. Note that the same conformation can also be expected for NC-OPE2

• the molecular conformation in the target SAMs, a series of calculations with the quantum-chemistry program package StoBe (Stockholm-Berlin) [80] were carried out for the OPE3 and NC-OPE3 molecules. Note that StoBe is used to evaluate and analyze the electronic structure as well as spectroscopic and

Charge transport in a zinc–porphyrin single-molecule junction

• Mickael L. Perrin,
• Christian A. Martin,
• Ferry Prins,
• Ahson J. Shaikh,
• Rienk Eelkema,
• Jan H. van Esch,
• Jan M. van Ruitenbeek,
• Herre S. J. van der Zant and
• Diana Dulić

Beilstein J. Nanotechnol. 2011, 2, 714–719, doi:10.3762/bjnano.2.77

• interpreted with care, and that the combination with I(V) spectroscopy represents an essential tool for a more detailed characterization of the charge transport in a single molecule. Keywords: mechanically controllable break junction; molecular conformation; molecular electronics; porphyrin; single-molecule

• the molecule–electrode interaction, presumably caused by a change in molecular conformation. A similar change in molecular conformation was also observed in the room temperature I(V)s as demonstrated by the red and black curves in Figure 2; the onset for the current increase shifted by −100 mV and the

• the molecule–electrode chemical bond nor the electrode configuration itself can be held responsible. More likely, varying the electrode distance changes the molecular conformation, which in turn leads to abrupt changes in the molecule–electrode interaction. Our findings also show that I(V

An MCBJ case study: The influence of π-conjugation on the single-molecule conductance at a solid/liquid interface

• Wenjing Hong,
• Hennie Valkenier,
• Gábor Mészáros,
• David Zsolt Manrique,
• Artem Mishchenko,
• Alexander Putz,
• Pavel Moreno García,
• Colin J. Lambert,
• Jan C. Hummelen and
• Thomas Wandlowski

Beilstein J. Nanotechnol. 2011, 2, 699–713, doi:10.3762/bjnano.2.76

• molecular conformation [13][16] and as well as of the anchoring group and of the contacting leads [17][18] was studied to develop correlations between charge-transport characteristics and molecular structure. Furthermore, π-conjugation plays an essential role in charge transport through single molecular