Orientation ordering of N<Subscript>2</Subscript> molecules in vertically aligned CN<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> nanotubes

Arrays of vertically aligned nitrogen-doped carbon (CN _x ) nanotubes have been synthesized by decomposition of aerosol mixture of acetonitrile and ferrocene at 850°C. Nitrogen concentration in the outer shells of the CN _x nanotubes was found from X-ray photoelectron spectroscopy (XPS) data to reach ∼6%. The XPS N 1s spectra and N 1s near-edge X-ray absorption fine structure (NEXAFS) spectra identified three chemical forms of nitrogen in the CN _x nanotube arrays: pyridine-like, graphitic, and molecular nitrogen. The π ^* resonance of molecular nitrogen showed clear polarization dependence that indicates predominant orientation of N₂ molecules along the nanotubes axis. The estimated range of the polar angle distribution of the N₂ molecules orientation in the CN _x nanotube array amounts to 15°.     

Strong decays B<Subscript>s0</Subscript>→B<Subscript>s</Subscript>π and B<Subscript>s1</Subscript>→B<Superscript>*</Superscript><Subscript>s</Subscript>π with light-cone QCD sum rules

In this article, we calculate the strong coupling constants g_Bs0Bsη and g_Bs1B*sη with the light-cone QCD sum rules. Then we take into account the small η–π⁰ transition matrix according to Dashen’s theorem, and we obtain the small decay widths for the isospin violation processes B_s0→B_sη→B_sπ⁰ and B_s1→B_s ^*η→B_s ^*π⁰. We can search the strange-bottomed (0⁺,1⁺) mesons B_s0 and B_s1 in the invariant B_sπ⁰ and B^* _sπ⁰ mass distributions, respectively. PACS  12.38.Lg; 13.25.Hw; 14.40.Nd     

An anchoring strategy for photoswitchable biosensor technology: azobenzene-modified SAMs on Si(111)

A mild and efficient procedure has been developed to obtain covalently attached self-assembled monolayers (SAMs) on Si(111) with photochromic azobenzene head-groups. Starting from neat or diluted carboxylic acid functionalized monolayers on-chip coupling reactions were applied to attach hydroxyl-functionalized azobenzene units to the SAMs by ester bond formation. The modified surfaces were characterized by high-resolution X-ray photoelectron spectroscopy (XPS), transmission Fourier transform infrared spectroscopy (FT-IR), and contact angle measurements. Reversible cis ↔ trans isomerizations of photoswitchable SAMs were monitored by wettability measurements. Electronic Supplementary Material  The online version of this article () contains supplementary material, which is available to authorized users. Dedicated with respect and compliments to Professor Helmut Schwarz on the occasion of his 65th birthday.     

Enhanced direct <Emphasis Type="Italic">CP</Emphasis> violation and branching ratios in bottom hadron decays

In the framework of factorization we study direct CP violation in the decays of bottom hadrons containing a strange quark or a charm quark, H _b →f ρ ⁰(ω)→f π ⁺ π ⁻ (H _b is the bottom hadron and f is the product hadron) including the effect of ρ–ω mixing. We find that the CP violating asymmetry can be enhanced greatly via the ρ–ω mixing mechanism when the invariant mass of the π ⁺ π ⁻ pair is in the vicinity of the ω resonance. For the processes associated with b→d transitions, e.g. , , B _c ⁻→D ⁻ π ⁺ π ⁻, B _c ⁻→D ^*− π ⁺ π ⁻, Ξ _b ⁰→Λ π ⁺ π ⁻, and Ω _b ⁻→Ξ ⁻ π ⁺ π ⁻, the maximum CP violating asymmetries can reach about −84%, while for the processes associated with b→s transitions, e.g. , , B _c ⁻→D _s ⁻ π ⁺ π ⁻, B _c ⁻→D _s ^*− π ⁺ π ⁻, Ξ _b ⁻→Ξ ⁻ π ⁺ π ⁻, and Ω _b ⁻→Ω ⁻ π ⁺ π ⁻, the CP violating asymmetries can be enhanced to about 95%. Furthermore, taking ρ–ω mixing into account we calculate the b-hadron decay branching ratios. We also discuss the possibility to observe the predicted CP violating asymmetries at the LHC.     

Influence of local excitation of octupolar Oligophenylenevinylenes on their dipole moments

Absorption and fluorescence spectra of octupolar centrosymmetric oligophenylenevinylene dyes (E,E)-bis[2-(4-hexyloxyphenyl)ethenyl]-(E,E)-3,6-bis-[2-(4-N,N-dipropylaminophenyl)ethenyl]pyrazine and (E,E,E,E)-2,3,5,6- tetra-[2-(4-hexyloxyphenyl)ethenyl]pyrazine were measured in various solvents. An electro-optical absorption method was used to determine their dipole moments as μ _g  = 6.1∙10^–30 and 3.4∙10^–30 C∙m in the equilibrium ground state and the increased values ∆ ^a μ = 11.9∙10^–30 and 8.2∙10^–30 C∙m upon excitation into a Franck–Condon state. Quantum-chemical calculations showed that the molecules had non-planar configurations. The π,π-conjugated system was localized on the most planar part of the molecule that was responsible for light absorption in the range 300–450 nm due to a change in the geometry of the molecules in the ground state. Localized excitation of the molecules caused their dipole moments ∆ ^a μ to change significantly.     

Bottomonium γ(5<Emphasis Type="Italic">S</Emphasis>) decays into <Emphasis Type="Italic">BB</Emphasis> and <Emphasis Type="Italic">BB</Emphasis>π

Two-and three-body decays of γ(5S) into BB, BB*, B*B*, B _s B _s , B _s B _s ^*, and BB*π, B*B*π are evaluated using the theory developed earlier for dipion-bottomonium transitions. The theory contains only two parameters—vertex masses M _br and M _ω—known from the dipion spectra and width. Predicted values of Γ_tot(5S) and six partial widths Γ _k (5S), k = BB, BB*, ... are in agreement with the experiment. The decay widths Γ_5S (πBB*) and Γ_5S (πB*B*) are also calculated and found to be on the order of 10 keV. The text was submitted by the authors in English.     

Two-pion production in proton-proton collisions with a polarized beam

The two-pion production reaction pp → ppπ⁺π⁻ was measured with a polarized proton beam at T _p ≈ 750 and 800MeV using the short version of the COSY-TOF spectrometer. The implementation of a delayed-pulse technique for Quirl and central calorimeter provided positive π⁺ identification in addition to the standard particle identification, energy determination as well as time-of-flight and angle measurements. Thus all four-momenta of the emerging particles could be determined with 1–4 overconstraints. Total and differential cross-sections as well as angular distributions of the vector analyzing power have been obtained. They are compared to previous data and theoretical calculations. In contrast to predictions we find significant analyzing-power values up to A _y = 0.3. The data taken in the energy region of the excitation of the Roper resonance confirm that its dominant ππ decay channel is N ^* → Nσ.     

Electronic excitation and singlet-triplet coupling in uracil tautomers and uracil-water complexes

Electronic spectra of uracil in its diketo (lactam) form and five enol (lactim) tautomeric forms have been investigated by means of combined density functional and configuration interaction methods. We have simulated the effects of hydrogen bonding with a protic solvent by recomputing the spectrum of uracil in the presence of two, four, or six water molecules. Geometries of the electronic ground state and several low-lying excited states have been optimized. Spin-orbit coupling has been determined for correlated wavefunctions employing a non-empirical spin-orbit mean-field approach. In accord with experiment, we find the diketo tautomer to be the most stable one. The calculations confirm that the first absorption band arises from the ¹( π↦π^*) S ₀↦S ₂ excitation. The experimentally observed vibrational structure in this band originates from a breathing mode of the six ring. Complexation with water molecules is seen to cause a significant blue shift of n↦π^* excitations while leaving π↦π^* excitations nearly uninfluenced. Computed radiative lifetimes are presented for the experimentally known weak phosphorescence from the π↦π^* excited T₁ state. Among the uracil lactim tautomers, one is particularly interesting from a spectroscopic point of view. In this tautomer, the π↦π^* excitation gives rise to the S₁ state. Received 18 February 2002 / Received in final form 5 June 2002 Published online 13 September 2002     

N-doping of pentacene by decamethylcobaltocene

We demonstrate n-type doping of pentacene with the powerful reducing molecule decamethylcobaltocene (CoCp₂^*). Characterization of pentacene films deposited in a background pressure of CoCp₂^* by X-ray photoemission spectroscopy and Rutherford backscattering confirm that the concentration of incorporated donor molecules can be controlled to a level as high as 1%. Ultraviolet photoemission spectroscopy show Fermi level (E _F) shifts toward unoccupied pentacene states, indicative of an increase in the electron concentration. A 1% donor incorporation level brings E _F to 0.6 eV below the pentacene lowest unoccupied molecular orbital. The corresponding electron density of ∼10¹⁸ cm⁻³ is confirmed by capacitance–voltage measurements on a metal–pentacene–oxide–silicon structure. The demonstration of n-doping suggests applications of CoCp₂^* to pentacene contacts or channel regions of pentacene OTFTs.     

X-ray absorption spectroscopy study of pulsed-laser-evaporated amorphous carbon films

Amorphous carbon (a-C) films obtained by pulsed-laser ablation of graphite have been investigated by X-ray Absorption Spectroscopy (XAS). The onset of 1s ^* transitions in the films lies in the gap between the ^* and ^* bands in graphite and very close to the absorption edge of diamond, indicating a high content ofsp ³ hybridization. A sharp feature at this onset is observed and assigned to a core exciton insp ³-hybridized disordered C atoms. Its shift of 0.5 eV with respect to the core exciton in diamond is probably due to a higher localization of the excited electron induced by disorder. A small peak coming from C–H bonds at the surface is observed and its intensity inereases with the amount ofsp ³-hybridized atoms in the sample. This can be easily explained by associating a higher amount of dangling bonds at the surface to a highersp ³ content. Polarization-dependent XAS measurements show that the angular distribution of these C–H bonds has a mean value close to the normal to the surface.     

The K * Kπ and ρππ couplings in QCD

The light cone QCD sum rules are derived for the K ^* Kπ coupling g _K ^* Kπ and the ρππ coupling g _ρππ. The contribution from the excited states and the continuum is subtracted cleanly through the double Borel transform with respect to the two external momenta, p ₁ ², p ₂ ²= (p−q)². Our result g _K ^* Kπ= (8.7 ± 0.5) and g _ρππ= (11.5 ± 0.8) is in good agreement with the experimental value. Received: 31 July 1998 / Revised version: 20 November 1998     

On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine

Minimum-energy reaction paths and corresponding potential-energy profiles have been computed for the lowest excited states of the amino form of 9H-adenine. Complete-active- space self-consistent-field (CASSCF) and density functional theory (DFT) methods have been employed. The potential-energy function of the lowest ¹πσ^* state, nominally a 3s Rydberg state, is found to be dissociative with respect to the stretching of the NH bond length of the azine group. The ¹πσ^* potential-energy function intersects not only those of the ¹ππ^* and ¹ nπ^* excited states, but also that of the electronic ground state. The ¹ππ^*- ¹πσ^* and ¹πσ^*-S₀ intersections are converted into conical intersections when the out-of-plane motion of the active hydrogen atom is taken into account. It is argued that the predissociation of the ¹ππ^* and ¹ nπ^* states by the ¹πσ^* state and the conical intersection of the ¹πσ^* state with the S₀ state provide the mechanism for the ultrafast radiationless deactivation of the excited singlet states of adenine.     

XPS study of the chemical bonding in hydrogenated amorphous germanium–carbon alloys

A systematic study of the chemical bonding in hydrogenated amorphous germanium–carbon (a-Ge_1-xC_x:H)alloys using X-ray photoelectron spectroscopy (XPS) is presented. The films, with carbon content ranging from 0 at. % to 100 at. %, were prepared by the rf co-sputtering technique. Raman spectroscopy was used to investigate the carbon hybridization. Rutherford backscattering spectroscopy (RBS) and XPS were used to determine the film stoichiometry. The Ge 3d and C 1s core levels were used for investigating the bonding properties of germanium and carbon atoms, respectively. The relative concentrations of C–Ge, C–C, and C–H bonds were calculated using the intensities of the chemically shifted C 1s components. It was observed that the carbon atoms enter the germanium network with different hybridization, which depends on the carbon concentration. For concentrations lower than 20 at. %, the carbon atoms are preferentially sp³ hybridized, and approximately randomly distributed. As the carbon content increases the concentration of sp² sites also increases and the films are more graphitic-like. Received: 4 May 1999 / Accepted: 24 November 1999 / Published online: 24 March 2000     

NA60 results on thermal dimuons

The NA60 experiment at the CERN SPS has measured muon pairs with unprecedented precision in 158 A GeV In–In collisions. A strong excess of pairs above the known sources is observed in the whole mass region 0.2<M<2.6 GeV. The mass spectrum for M<1 GeV is consistent with a dominant contribution from π ⁺ π ⁻→ρ→μ ⁺ μ ⁻ annihilation. The associated ρ spectral function shows a strong broadening, but essentially no shift in mass. For M>1 GeV, the excess is found to be prompt, not due to enhanced charm production, with pronounced differences to Drell–Yan pairs. The slope parameter T _eff associated with the transverse momentum spectra rises with mass up to the ρ, followed by a sudden decline above. The rise for M<1 GeV is consistent with radial flow of a hadronic emission source. The seeming absence of significant flow for M>1 GeV and its relation to parton–hadron duality is discussed in detail, suggesting a dominantly partonic emission source in this region. A comparison of the data to the present status of theoretical modeling is also contained. The accumulated empirical evidence, including also a Planck-like shape of the mass spectra at low p _T and the lack of polarization, is consistent with a global interpretation of the excess dimuons as thermal radiation. We conclude with first results on ω in-medium effects.     

The search for and study of the strange multibaryon states in systems with Λ-hyperon and Ks0 -meson in pA collision at momentum of 10 GeV/c

Exotic strange multibaryon states have been observed in the effective mass spectra of: Λπ^±, Λπ⁺π⁻, Λp, Λpp, Λπp, ΛΛ and ΛK _s ⁰, K _s ⁰ p, K _s ⁰π^± subsystems. The measured Λ/π⁺ ratio for average multiplicities from the pC reaction is equal to (5.3 ± 0.8) × 10⁻², and it is approximately two times larger than the Λ/π⁺ ratio simulated by the FRITIOF model and than that of experimental pp reactions at the same energy. The observed wellknown resonances Σ*⁺ (1385) and K*^± (892) from PDG are good tests of this method. The mean value of the mass for the Σ*⁻(1385) resonance is shifted to 1370 MeV/c ² and the width is two times larger than the same value from PDG. Such kind of behavior for the width and invariant mass of Σ*⁻ (1385) resonance is interpreted as an extensive contribution from stopped Ξ⁻ → Λπ⁻ and medium effect. There is enhancement of the production contribution for all observed hyperons. A few events were registered by hypothesis of light H ⁰ and heavy H ^{0, +} dihyperons. Dihyperons were observed by weak decay channels: (Σ⁻ p), (Λpπ⁻), (Λpπ⁰), and (K ⁻ pp). The text was submitted by the author in English.     

X-ray photoelectron spectroscopy and near-edge X-ray-absorption fine structure of C60 polymer films

We report core-level and valence-band X-ray photoelectron spectroscopy (XPS) and carbon [ _]K near-edge X-ray-absorptionfine structure spectroscopy (NEXAFS) results of plasma-polymerized C₆₀. In comparison with evaporated C₆₀ the C 1s peak is broader and asymmetric for the C₆₀ polymer and its shake-up satellites diminished. Furthermore, the features of the valence-band as well as the features of the π^* antibonding orbitals of the C₆₀ polymer are broader and reduced in intensity. Changes in the electronic structure are attributed to the polymerization of C₆₀, the post-plasma functionalization of the surface by oxygen after exposure to atmosphere, and the occurrence of amorphous carbon. Received: 28 May 1999 / Accepted: 31 August 1999 / Published online: 8 March 2000     

Probing the molecular orbitals of FePc near the chemical potential using electron energy-loss spectroscopy

We have studied the electronic structure of iron phthalocyanine (FePc) films at low temperature using electron energy-loss spectroscopy. The electronic excitation spectrum of FePc is rather complex and comprises both π-π^* transitions of the phthalocyanine ligand and transitions that involve the Fe 3d orbitals. The C 1s core excitations provide so far unidentified information on the molecular orbitals. They demonstrate that the Fe 3d orbital with e_g symmetry is energetically located in between the highest occupied and the lowest unoccupied ligand state and that it is not fully occupied.     

Study of optical properties and molecular structure of plasma polymerized diethylene glycol dimethyl ether

This paper deals with plasma polymerization processes of diethylene glycol dimethyl ether. Plasmas were produced at 150 mtorr in the range of 10 W to 40 W of RF power. Films were grown on silicon and quartz substrates. Molecular structure of plasma polymerized films and their optical properties were analyzed by Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy. The IR spectra show C–H stretching at 3000–2900 cm^-1, C=O stretching at 1730–1650 cm^-1, C–H bending at 1440–1380 cm^-1, C–O and C–O–C stretching at 1200–1000 cm^-1. The concentrations of C–H, C–O and C–O–C were investigated for different values of RF power. It can be seen that the C–H concentration increases from 0.55 to 1.0 au (arbitrary unit) with the increase of RF power from 10 to 40 W. The concentration of C–O and C–O–C decreases from 1.0 to 0.5 au in the same range of RF power. The refraction index increased from 1.47 to 1.61 with the increase of RF power. The optical gap calculated from absorption coefficient decreased from 5.15 to 3.35 eV with the increase of power. Due to its optical and hydrophilic characteristics these films can be applied, for instance, as glass lens coatings for ophthalmic applications.     

The kappa in J/Ψ↦K<Superscript>+</Superscript>π

BES II data for J/Ψ↦K ^*(890)Kπ reveal a strong κ peak in the Kπ S-wave near threshold. Both magnitude and phase are determined in slices of Kπ mass by interferences with strong K ₀(1430), K ₁(1270) and K ₁(1400) signals. The phase variation with mass agrees within errors with LASS data for Kπ elastic scattering. A combined fit is presented to both BES and LASS data. The fit uses a Breit-Wigner amplitude with an s-dependent width containing an Adler zero. The κ pole is at (760±20(stat)±40(syst)) - i(420±45(stat)±60(syst)) MeV. The S-wave I = 0 scattering length a ₀ = 0.23±0.04 m _π ^-1 is close to the prediction 0.19±0.02 m _π ^-1 of Chiral Perturbation Theory at O(p ⁴). An erratum to this article can be found at .     

K0πand K*0Σ+ photoproduction off the proton

The exclusive reactions γp → K ^*0Σ⁺(1189) and γp → K ⁰π⁰Σ⁺(1189) , leading to the p 4π⁰ final state, have been measured with a tagged photon beam for incident energies from threshold up to 2.5GeV. The experiment has been performed at the tagged photon facility of the ELSA accelerator (Bonn). The Crystal Barrel and TAPS detectors were combined to a photon detector system of almost 4π geometrical acceptance. Differential and total cross-sections are reported. At energies close to the threshold, a flat angular distribution has been observed for the reaction γp → K ⁰π⁰Σ⁺ suggesting dominant s -channel production. Σ^*(1385) and higher-lying hyperon states have been observed. An enhancement in the forward direction in the angular distributions of the reaction γp → K ^*0Σ⁺ indicates a t -channel exchange contribution to the reaction mechanism. The experimental data are in reasonable agreement with recent theoretical predictions.