Materials Literature
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Ausgehend von Lanthanoidoxiden als Lanthanoidquelle wurden unter Hydrothermalbedingungen Koordinationspolymere synthetisiert, in denen [Ln14(μ6-O)(μ3-OH)20(H2O)8]20+-Cluster (Ln=Y, Gd, Dy) über Isonicotinatliganden mit zwei unterschiedlichen Typen von Kupferzentren verknüpft sind. Das ungewöhnliche Netzwerk dieser iso…
Propagation of light through a thin flat metallic screen containing a hole of twisted shape is sensitive to whether the incident wave is left or right circularly polarized. The transmitted light accrues a component with handedness opposite to the incident wave. The efficiency of polarization conversion depends on the…
Preface / Kingdom of Nanostructures / Quantum Confinement in Low-Dimensional Systems / Resonant Light Reflection, Transmission & Absorption / Intraband Optical Spectroscopy of Nanostructures / Photoluminescence Spectroscopy / Light Scattering / Nonlinear Optics / Photogalvanic Effects / Conclusion / Appendix A: Tables…
Abstract Novel family of molecular glasses based on silicon-containing compounds, α,ω-dimethyloligo(diphenylsilylene)s are synthesized and characterized. Glass-forming properties of these materials tended to have even-odd effect of chain length. The morphology of glassy samples was found to be mainly amorphous with on…
The bonding and vibrational properties of Pd(CO) and Pd(CO)(2) complexes formed at the (100) surface of MgO have been investigated using the gradient-corrected DFT approach and have been compared to the results of infrared and thermal desorption experiments performed on ultrathin MgO films. Two complementary approache…
Very asymmetric mixtures of hard spheres naturally arise in the modellization of colloidal dispersions. Effective potentials have emerged as a powerful tool for describing these systems and have often been employed to extract the phase diagram in both the additive and nonadditive cases. However, most theoretical inves…
The surface-enhanced resonance Raman scattering (SERRS) activity of a statistically significant number of silver nanoparticles has been studied using a correlated SERRS mapping and transmission electron microscopy (TEM) method. TEM allowed the nature of each entity to be directly identified, and the SERRS activity was…
We report density functional theory calculations on six-coordinate ferric-NO ({FeNO}6) porphyrinates that contain either imidazole or imidazolate as the trans axial ligand. Our results show that the sensitivities of the Fe-NO and N-O stretching frequencies to cis and trans influences are directly correlated. In other…
Different potassium salts and zinc(II) and nickel(II) O,O'-dialkyldithiophosphate complexes were studied by solid-state 31P CP/MAS and static NMR and ab initio quantum mechanical calculations. Spectra were obtained at different spinning frequencies, and the intensities of the spinning sidebands were used to estimate t…
The nature of order−disorder transitions in cross-linked diblock copolymer melts was studied using small-angle X-ray scattering (SAXS) and birefringence measurements. Experiments were conducted on cross-linked polystyrene- block -polyisoprene copolymer samples wherein the polyisoprene block was selectively cross-linke…
The compositional and structural rearrangements at the catalyst surface during chemical reactions are issues of great importance for understanding and modeling the catalytic processes. Low-energy electron microscopy and photoelectron spectromicroscopy studies of the real-space structure and composition of a Au-modifie…
The structure of Y Fe 2 D 3.5 at 290 K has been refined in a monoclinic superstructure using synchrotron radiation and neutron diffraction experiments. The evolution of the 57 Fe Mössbauer spectra versus temperature for ZrFe 2 D x and Y Fe 2 D x deuterides with large deuterium content has been studied. For x = 3.5 bot…
Two novel dinuclear copper(II) complexes containing four spin carriers have been synthesized and characterized structurally and magnetically. These complexes are formulated as [Cu 2 (apox)(NIT-4Py) 2 ](ClO 4 ) 2 ·2H 2 O ( 1 ) and [Cu 2 (apox)(NIT-2Py) 2 ](ClO 4 ) 2 ( 2 ), where apox = N, N ‘-bis(3-aminopropyl) oxamido…
Fabrication of p -type ZnO has proven difficult and usually inconsistent despite numerous worldwide efforts. In this theoretical study we explored the problem of p -type ZnO formation using both DFT and thermochemistry calculations. Our DFT models predicted that Zn 3 P 2 is a good dopant because it can lead to a shall…
The constant-volume melting entropy of natural rubber ( cis -1,4-polyisoprene = c-PIP) is small compared with other linear polymers. With the aim of understanding this behavior a reliable structural model for the crystalline state of c-PIP is needed. To this end the recent study by Takahashi and Kumano (T−K) has been…
Diarylethenes bearing electro-donating and electro-withdrawing substituents in the 5,5‘-positions of the thiophene unit were studied theoretically (DFT, B3LYP) to understand the effect of the substituents on the infrared spectrum in the two stable forms. The photochromic molecule with the electro-donating substituent…
In this work, we detail the synthesis and photophysical properties of a series of soluble polybipyridine ligands comprising one to five bipyridine units sandwiched between rigid carbon-carbon triple bonds substituted by 3,4-dibutylthiophene repeating units. The dual Sonogashira coupling reaction of 5,5'-dibromo-2,2'-b…
Collision cascades in MgAl 2 O 4 are investigated using molecular dynamics simulations in order to determine the threshold displacement energies, E d , and the damage imparted to the lattice at energies of up to 5 keV. The value of E d is determined for MgAl 2 O 4 on each of the Mg, Al and O sublattices for different…
The first synthesis of all four stereoisomers of 1,3,5,7-tetrahydroxy-1,3,5,7-tetraisopropylcyclotetrasiloxane, [i-PrSiO(OH)]4 (all-trans-, cis-cis-trans-, cis-trans-cis-, and all-cis-1), is presented. The starting compounds, all-trans-, cis-cis-trans-, cis-trans-cis-, and all-cis-1,3,5,7-tetraaryl-1,3,5,7-tetraisopro…
Novel photosensitive chitosan was synthesized. The modified chitosan contains photoactive anthracene chromophore moieties. Because of the presence of anthracene chromophores, the polymer absorbs light in the UV-vis spectral region. Electronically excited polymeric chromophores could participate in energy and electron…