2.4 Umweltrelevante Matrices

Ohne Zusammenfassung     

Molecular dynamics study of the reaction C<Subscript>3</Subscript> + H <Subscript>3</Subscript><Superscript>+</Superscript>

Both a quantum molecular dynamic method and high level ab initio calculations (MP2, CCSD(T)) have been used to investigate the mechanism of the C₃ + H₃⁺ reaction, which is part of the ion chemistry in interstellar clouds. Furthermore statistic initial orientations in collision simulations have been set up in order to determinate reaction cross-sections and rate coefficients of all occurring reaction channels. Our analysis shows that the revealed mechanism is strongly determined by dynamic effects.     

Two photon absorption and coherent control with broadband down-converted light

We experimentally demonstrate two-photon absorption with broadband down-converted light (squeezed vacuum). Although incoherent and exhibiting the statistics of a thermal noise, broadband down-converted light can induce two-photon absorption with the same sharp temporal behavior as femtosecond pulses, while exhibiting the high spectral resolution of the narrow band pump laser. Using pulse-shaping methods, we coherently control two-photon absorption in rubidium, demonstrating spectral and temporal resolutions that are 3-5 orders of magnitude below the actual bandwidth and temporal duration of the light itself. Such properties can be exploited in various applications such as spread-spectrum optical communications, tomography, and nonlinear microscopy.     

Near Optimal Separation Of Tree-Like And General Resolution

We present the best known separation between tree-like and general resolution, improving on the recent exp(n ) separation of [2]. This is done by constructing a natural family of contradictions, of size n, that have O(n)-size resolution refutations, but only exp((n/log n))- size tree-like refutations. This result implies that the most commonly used automated theorem procedures, which produce tree-like resolution refutations, will perform badly on some inputs, while other simple procedures, that produce general resolution refutations, will have polynomial run-time on these very same inputs. We show, furthermore that the gap we present is nearly optimal. Specifically, if S (S _T ) is the minimal size of a (tree-like) refutation, we prove that S _T = exp(O(S log log S/log S)).* This research was supported by Clore Foundation Doctoral Scholarship. Research supported by NSF Award CCR-0098197 and USA–Israel BSF Grant 97-00188. This research was supported by grant number 69/96 of the Israel Science Foundation, founded by the Israel Academy for Sciences and Humanities.     

Probing molecular free energy landscapes by periodic loading

Single molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule's free energy profile from the experimental data is still a challenge, in particular, for the unstable barrier regions. We propose a new method for obtaining the full profile by introducing a periodic ramp and using Jarzynski's relation for obtaining equilibrium quantities from nonequilibrium data. Our simulated experiments show that this method delivers significant more accurate data than previous methods, under the constraint of equal experimental effort.     

Evidence for negative cross correlations in vibrational dephasing in liquids: isotropic raman-line shift and width phenomena in isotopic mixtures of N2 and O2

To experimentally confirm the hypothesis of negative cross terms between different dephasing mechanisms, potentially leading to a broadening of the isotropic Raman line upon isotopic dilution, we present a detailed study on the concentration dependencies of all of the line shifts and widths in the four isotopic mixtures of type (15N14N)(x)-(14N2)(1-x), (15N2)(x)-(14N2)(1-x), (15N2)(x)-(15N14N)(1-x), and (16O2)(x)-(18O2)(1-x) near the normal boiling point of nitrogen at T = 77.35 K. A quite disparate behavior of the nitrogen oscillators compared to the oxygen oscillators was observed in respect to a change of their isotopic baths.     

Die Herstellung von Aluminiumnitrid

Zur Erzeugung von Kohlenstoff-14 in Kernreaktoren nach der Gleichung N-14 (n, p) C-14 wird auf Grund vieler physikalischer Parameter, wie hohe Temperaturbeständigkeit, holier Stickstoffgehalt (bezogen auf die Masseeinheit) und geringerer Einfangsquerschnitt für Neutronen der metallischen Komponente sowie relativ leichte Abtrennung des gebildeten Kohlenstoffs Aluminiumnitrid eingesetzt. Die Amvendung des Aluminiumnitrids fur die angeführte Kernreaktion erfordert den Einsatz von reinsten Materialien, besonders den Ausschluß von Kohlenstoff und dessen Verbindungen. Aus diesem Grunde ist es nicht möglich, das in der Technik angewandte Verfahren, die Herstellung aus Bauxit, anzuwenden.     

Subvalente Galliumtriflate – mögliche Ausgangsverbindungen für Clusterverbindungen des Galliums

Subvalent Gallium Triflates – Potentially Useful Starting Materials for Gallium Cluster Compounds By reaction of GaCp* with trifluormethanesulfonic acid in hexane a mixture of gallium trifluormethanesulfonates (triflates, OTf) is obtained. This mixture reacts readily with lithiumsilanides [Li(thf)₃Si(SiMe₃)₂R] (R = Me, SiMe₃) to afford the cluster compounds [Ga₆{Si(SiMe₃)Me}₆], [Ga₂{Si(SiMe₃)₃}₄] and [Ga₁₀{Si(SiMe₃)₃}₆]. By crystallization from various solvents the gallium triflates [Ga(OTf)₃(thf)₃], [HGa(OTf)(thf)₄]⁺ [Ga(OTf)₄(thf)₃]⁻, [Cp*GaGa(OTf)₂]₂ and [Ga(toluene)₂]⁺ [Ga₅(OTf)₆(Cp*)₂]⁻ were isolated and characterized by single crystal X ray structure analysis.     

Über das Geschlecht von Knoten

Ohne Zusammenfassung