The electric dipole moments of (H2O)nDCl (n=3-9) clusters have been measured by the beam-deflection method. Reflecting the (dynamical) charge distribution within the system, the dipole moment contributes information about the microscopic structure of nanoscale solvation. The addition of a DCl molecule to a water cluster results in a strongly enhanced susceptibility. There is evidence for a noti...

The DC electric susceptibilities of unsolvated glycine-based peptides, WGn (W = tryptophan and G = glycine) with n = 1-5, have been measured by deflection of a molecular beam in an electric field. These are the first electric deflection measurements performed on peptides. At 300 K the susceptibilities are in the range of 200-400 A(3). By far the largest contribution to the susceptibilities is f...

A range of interesting fundamental scientific questions can be addressed by high-precision molecular spectroscopy. A promising way towards this goal is the measurement of dipole-forbidden vibrational transitions in molecular ions. We have recently reported the first such observation in a molecular ion. Here, we give an overview of our method and our results as well as an outlook on potential fu...

The hopping mobility in organic semiconductors is strongly influenced by the correlated on-site noise — i.e. dipole–dipole interaction between neighbouring molecules. In this paper, we use Kinetic Monte Carlo (KMC) to study effect of dipole moment and structural order on hole molecular semiconductors. While charge interactions can be approximately reproduced a global Gaussian disorder model, ou...

016101-1 Many chemically active, hazardous, and toxic substances have a high dipole moment, and they interact strongly with the charged particles and molecular ion clusters. A new nucleation model considering the contribution of the dipole-charge interaction to the ion-induced nucleation rates is developed, with the dipole moment of the condensing monomers as a new parameter. It is shown that i...

We study the rotation rates and electric dipole emission of hydrogenated icosahedral fullerenes (single and multishell) in various phases of the interstellar medium. Using the formalism of Draine and Lazarian for the rotational dynamics of these molecules in various astrophysical environments, we find effective rotation rates in the range 1–65 GHz with a trend toward lower rotational frequency ...

The complex linear response function, which can be employed for calculations of second-order molecular properties in regions of strong absorption, is here extended to encompass the mixed electric-dipole-magnetic-dipole polarizability. The mixed electric-dipole-magnetic-dipole polarizability determines the optical rotation and, when absorption is taken into account, the full anomalous optical ro...

We investigate the spectral relationships between electromagnetic (EM) enhancement and surface-enhanced resonant Raman scattering (SERRS) with fluorescence (SEF), which is observed as background emission of SERRS, in context light–matter interactions subradiant plasmons molecular excitons, using single silver nanoparticle dimers a model system. focus on lowest-energy (superradiant) plasmon far-...

In this work several molecular properties of symmetrically disubstituted formaldehyde and thioformaldehyde have been studied using a quantum chemistry approach based on density functional theory. Five-membered heteroaromatic rings containing a single group 16 heteroatom were taken into account as the substituents (i.e., furan-2-yl, thiophen-2-yl, selenophen-2-yl, tellurophen-2-yl, and the exper...

A microscopic theory is presented for piezoelectricity, electrostriction, and pyroelectricity in molecular crystals. The required coefficients are derived by combining a theoretical treatment of the dependence of molecular dipole moments on molecular displacement and a generalized elastic theory for internal strain.