Complex three-dimensional superstructures with useful properties[1] can be created easily by reversibly assembling functionalized small molecules through hydrogen bonding and overlap.[2] Examples are 1a and 1b (Figure 1a), which self-assemble through head-to-tail amide hydrogen bonds into arrays of stacked columns (Figure 1b, c).[3] In these molecules, the dodecyl ether substituents provide a l...

Visualizing molecular transformations in real-time requires a structural retrieval method with Ångström spatial and femtosecond temporal atomic resolution. Imaging of hydrogen-containing molecules additionally an imaging sensitive to the positions hydrogen nuclei, most methods possessing relatively low sensitivity scattering. Laser-induced electron diffraction (LIED) is table-top technique that...

•Real-time measurements of kinetics and thermodynamics a single molecular shuttle •Formation short-lived weak-binding intermediate is directly observed •Single-molecule junctions show aspects hidden to methods that report averaged behavior Measurements on molecules can sometimes reveal features be difficult detect using techniques probe the properties many molecules. Here, we use graphene-molec...

Adsorption of hydrogen molecules on platinum-doped single-walled zigzag (8,0) boron nitride (BN) nanotube is investigated using the density-functional theory. The Pt atom tends to occupy the axial bridge site of the BN tube with the highest binding energy of -0.91 eV. Upon Pt doping, several occupied and unoccupied impurity states are induced, which reduces the band gap of the pristine BN nanot...

The hydrogen atom-the smallest and most abundant atom-is of utmost importance in physics and chemistry. Although many analysis methods have been applied to its study, direct observation of hydrogen atoms in a single molecule remains largely unexplored. We use atomic force microscopy (AFM) to resolve the outermost hydrogen atoms of propellane molecules via very weak C═O⋅⋅⋅H-C hydrogen bonding ju...

In this work we use classical methods to develop an accurate model able describe the interactions between molecule of water and hematite surface. We study variation interaction energy surface regarding some geometrical aspects such as proximity different parts surface, molecule-surface distance, orientation molecule. obtain profiles compare them with results obtained using DFT. polarizable non-...

Five structures of co-crystals grown from aqueous solutions equimolar in 15-crown-5 (or 15C5) and [M(H(2)O)(6)](NO(3))(n), M = Al(3+), Cr(3+) and Pd(2+), are reported. The hydrogen-bonding patterns in all are similar: metal complexes including the fragment trans-H(2)O-M-OH(2) alternate with 15C5 molecules, to which they are hydrogen bonded, to form stacks. A literature survey shows that this hy...