Dipole moments of the various nitro-substituted hydrazones were experimentally determined by dielectric measurements and supported by theoretical DFT calculations, which indicated that the mesophase formation is mostly governed by strong dipole moment and further enforced by intramolecular H-bonding....
2. The vapor dipole moment of 1.85 D is as- sumed although the actual moment of a molecule in the solid is undoubtedly enhanced by intermolecular interaction. There is no simple way of taking account of this enhancement. It can be done, as shown in the Appendix, for an isolated pair of...
The far-IR spectrum of H2S-H2S at temperatureT= 0.37 K, which is the temperature of He droplets in the molecular beam, is shown in Fig.2. It is calculated with the Lanczos-based recursive residue generator method45,46and the six-dimensional (6D) dipole function described in the Methods s...
Bulk electrolysis of the cobalt catalyst in water using 0.1 M LiCl as a supporting electrolyte without acid (Fig.3A) shows no unique reduction peaks before the onset of the catalytic wave at −1.18 vs Ag/Ag/Cl. Initiating with the absence of reduction peaks, this discovery diverges from...
Periodic boundary conditions were used, with a 20 Å vacuum layer inserted perpendicular to the planes and a dipole correction applied. Gaussian smearing was used with a smearing width Scientific Reports | 5:16190 | DOI: 10.1038/srep16190 11 www.nature.com/scientificreports/ of 0.03 eV...
The lattice structure is twisted when the catalyst is subjected to external stress and the electric dipole moment is no longer zero. The resulting piezoelectric potential not only enables the free charge in the bulk phase to migrate directionally, but also inhibits the recombination of photogenerated...
Bonds: Bonds are connections between atoms that are formed when atoms share or donate electrons. The electrons involved in bonding are in the outer shell and are known as valence electrons. Answer and Explanation:1 Hydrogen bonds are the strongest of intermolecular forces for covalent compounds ...
(Supplementary Fig.2b) during CO desorption, which correlate with changes in dipole–dipole coupling between CO on the surface of Pt crystal22,23,24,25. Pt content in Pt1/N-C is∼ 2.5 wt% as determined by the coupled plasma optical emission spectrometry (ICP–OES) analysis. Note ...
state-to-state transition probabilities were estimated according to the transition dipole moment from stateito statejand were normalized by a factor of 105. The exciton effect is significant in low-dimensional systems because electrostatic screening is limited. The relatively good agreement of the exper...
Electrostatic dipole-dipole interaction.Ions oratoms of opposite charges tend to be attracted to each other. This is as opposed to the phenomenon wherein ions or atoms with the same charge tend torepel. In this case, this is calledelectrostatic repulsion. A hydrogen bond is apartially electrost...