Search results for "molecule"
showing 10 items of 5162 documents
Tuning of the photoinduced charge transfer process in donor-acceptor "double cable" copolymers
2003
The covalent linking of acceptor molecules to electron donating conjugated polymer is an approach for the development of new photoactive materials for the fabrication of organic photoelectric conversion devices. With this strategy we have designed a polyalkylthiophene copolymer series containing in the side chain anthraquinone molecules as electron acceptor. The peculiar features of the copolymers are the good processability and the ease in tailoring the content of acceptor moieties. Their potential use as photoactive materials is investigated in terms of the photoinduced charge transfer properties, studied by FTIR photoinduced absorption and Light Induced Electron Spin Resonance spectrosco…
New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations
2015
We present extensive ab initio simulations of the molecular arrangements at the vapor/water interface, which provide valuable insights into the interface structure. In particular, the simulations address the controversy of whether there is a significant amount of nondonor configurations at this prototypical interface, using a novel Car-Parrinello-like ab initio molecular dynamics approach. The interface is modeled by a system of 384 water molecules for 125 ps in a two-dimensional periodic slab, the most extensive ab initio molecular dynamics simulation to date. In contrast to previous theoretical simulations and X-ray absorption spectroscopy, but consistent with sum-frequency generation exp…
X-ray versus Ultraviolet Irradiation of Astrophysical Ice Analogs Leading to Formation of Complex Organic Molecules
2019
In astrochemistry, complex organic molecules (COMs) are defined as species with at least one C atom and six or more atoms in total. More than 70 COMs were detected toward various interstellar and c...
Cooperative mechanism for anchoring highly polar molecules at an ionic surface
2009
Structure formation of the highly polar molecule cytosine on the (111) cleavage plane of calcium fluoride is investigated in ultrahigh vacuum using noncontact atomic force microscopy at room temperature. Molecules form well-defined trimer structures, covering the surface as homogeneously distributed stable structures. Density-functional theory calculations yield a diffusion barrier of about 0.5 eV for individual molecules suggesting that they are mobile at room temperature. Furthermore, it is predicted that the molecules can form trimers in a configuration allowing all molecules to attain their optimum adsorption position on the substrate. As the trimer geometry facilitates hydrogen bonding…
Search for New Physics with Atoms and Molecules
2017
This article reviews recent developments in tests of fundamental physics using atoms and molecules, including the subjects of parity violation, searches for permanent electric dipole moments, tests of the CPT theorem and Lorentz symmetry, searches for spatiotemporal variation of fundamental constants, tests of quantum electrodynamics, tests of general relativity and the equivalence principle, searches for dark matter, dark energy and extra forces, and tests of the spin-statistics theorem. Key results are presented in the context of potential new physics and in the broader context of similar investigations in other fields. Ongoing and future experiments of the next decade are discussed.
Photoassociative production and trapping of ultracold KRb molecules.
2004
We have produced ultracold heteronuclear KRb molecules by the process of photoassociation in a two-species magneto-optical trap. Following decay of the photoassociated KRb*, the molecules are detected using two-photon ionization and time-of-flight mass spectroscopy of KRb$^+$. A portion of the metastable triplet molecules thus formed are magnetically trapped. Photoassociative spectra down to 91 cm$^{-1}$ below the K(4$s$) + Rb (5$p_{1/2}$) asymptote have been obtained. We have made assignments to all eight of the attractive Hund's case (c) KRb* potential curves in this spectral region.
Formation, Detection and Trapping of Photoassociated Ultracold KRb Molecules
2005
Ultracold ground-state KRb molecules are formed by photoassociation and detected by resonant two-photon ionization. We have assigned both the photoassociation spectrum and the detection laser spectrum, and we have demonstrated magnetic trapping of triplet KRb
Physics of Multiple-Charged Stored Ions
1983
The implementation of the ion-storage technique for the investigation of charge-exchange processes between multiple-charged ions and neutral atoms or molecules is described. The advantages and restrictions are discussed by the example of measurements on doubly and triply charged ions reacting with a neutral gas target or an atomic hydrogen beam.
Spin dependence of low energy charge exchange between H 2 + and Na
1987
The difference in charge exchange rate in collisions between spin oriented sodium atoms and H 2 + ions has been measured at an energy of about 1 eV. H 2 + was stored in a Penning trap and polarized by spin exchange with Na beam atoms from a hexapole magnet. The ion loss from the trap due to charge exchange was different as we depolarized the atomic beam. From the data we obtain a ratio of cross sections for singlet and triplet collisionsQ 1/Q 3=1.5±0.2 andQ 3=1.2·10−15 cm2.
From atomic to molecular Bose-Einstein condensates: a physically realizable term-crossing model for cold atom association
2010
Using an exact third-order NL di®erential equation for the molecular state probability, we develop a variational approach which enables us to construct highly accurate analytic approximations describing time dynamics of the coupled atom-molecular system in each of the interaction regimes. We show that the approximation describing time evolution of the molecular state probability both in the weak interaction limit and in the large detuning regime of the strong interaction limit can be written as a sum of two distinct terms; the ¯rst one, being a solution to a limit ¯rst-order NL equation, e®ectively describes the process of the molecule formation while the second one, being a scaled solution…