Quantum dynamics of the dissociation of H2 on Cu(100): dependence of the site-reactivity on initial rovibrational state

We perform six-dimensional (6D) quantum wavepacket calculations for H2 dissociatively adsorbing on Cu(100) from a variety of rovibrational initial states. The calculations are performed on a new potential energy surface (PES), the construction of which is also detailed. Reaction probabilities are in good agreement with experimental findings. Using a new flux analysis method, we calculate the reaction probability density as a function of surface site and collision energy, for a variety of initial states. This approach is used to study the effects of rotation and vibration on reaction at specific surface sites. The results are explained in terms of characteristics of the PES and intrinsically dynamic effects. An important observation is that, even at low collision energies, reaction does not necessarily proceed predominantly in the region of the minimum potential barrier, but can occur almost exclusively at a site with a higher barrier. This suggests that experimental control of initial conditions could be used to selectively induce reaction at particular surface sites. Our predictions for site-reactivity could be tested using contemporary experimental methods: The calculations predict that, for reacting molecules, there will be a dependence of the quadrupole alignment of j on the incident vibrational state, v. This is a direct result of PES topography in the vicinity of the preferred reaction sites of v = 0 and v = 1 molecules. Invoking detailed balance, evidence for this difference in preferred reaction site of v = 0 and 1 molecules could be obtained through associative desorption experiments.     

From squeezed atom lasers to teleportation of massive articles

The development of the Raman atom laser promises to make available new techniques for accessing and manipulating the quantum statistical properties of Bose-Einstein condensates. In this work we show how, combined with the already existing methods for the manipulation of quantum states of light which are central to quantum optics, the Raman input-output coupling mechanisms potentially enable the production of quadrature squeezed and sub-Poissonian atomic beams, and entanglement between atomic and optical fields. We also propose a method of measuring the quantum statistics of the atomic beam by transferring them to an optical field. Finally, by combning these techniques, we propose a method of teleporting the atom laser beam from one trapped condensate to another.     

Synthesis of sulfur-bridged piperazinediones by reaction of 3,6-dibromo-1,4-dimethyl-2,5-piperazinedione with geminal dithiols

The reaction of several geminal dithiols with 3,6-dibromo-1,4-dimethyl-2,5-piperazinedione gave in good yields piperazinedione derivatives substituted at the 3,6-position with a geminal dithiol-bridging group. These sulfur-bridged piperazinediones formally represent derivatives of the 2,4-dithia-6,8-diaza-7,9-dioxobicyclo[3.2.2]nonane ring system. Attempts to transform these sulfur-bridged piperazinediones to 3,6-epidithiopiperazinediones by removal of the bridging group common to the sulfur functionality were unsuccessful. Studies also are reported of addition of thioacetic acid to 3,6-dimethylene-2,5-piperazinedione to give 3,6-diacetylthio-3,6-dimethyl-2,5-piperazinedione. Conversion of the 3,6-diacetylthio derivative to the epithiopiperazinedione ring system yielded a mixture of epimono- and epidithiopiperazinediones.     

Nuclear size dependence of inclusive particle production

The inclusive production of π⁺, π^?, K⁺, K^?, p and $\text{p}$ for protons incident on carbon and tungsten targets was studied at the Internal Target Area of the Fermilab. We assume an A^α dependence for the inclusive cross sections and report here on the variation of α with incident momentum, transverse momentum and particle species.     

The global Markov property for lattice systems

We prove the global Markov property for lattice systems of classical statistical mechanics, with bounded spins and finite range interactions. The method uses the one developed by two of us to prove the global Markov property of Euclidean generalized random fields. The result shows that the systems considered have a transition matrix, which together with a distribution on a hyperplane, describes completely the system.     

Synthesis of des-n-tetramethyltriostin a from C-terminal Z-d-serine tetra-and octadepsipeptide intermediates

Des-N-tetramethyltriostin A (1), a known DNA-intercalation agent, has been synthesized from tetra- and octapeptide intermediates that have Z-d-serine at the C-terminal position. The procedure thus allows the fragment coupling and cyclization reactions leading to the synthesis of the title compound to occur without racemization at the C-terminal amino acid. Esterification of Boc-Val-OH with the p-bromophenacyl ester of Z-d-serine provided didepsipeptide Z-d-Ser(Boc-Val)-OBpa (4). Stepwise addition of the requisite amino acids provided tetradepsipeptide Z-d-Ser[Boc-Ala-Cys(Acm)-Val]-OBpa (6). Fragment coupling of the respective C- and N-deprotected tetradepsipeptides 7 and 8, derived from 6, furnished linear octadepsipeptide 9, which upon cyclization and disulfide formation gave the bicyclic octadepsipeptide 11, a known synthetic precursor to 1. The degree of racemization incurred in the alanine and valine residues of selected depsipeptides was measured and the results compared with those obtained in previous studies. It was concluded that alanine, perhaps because of sequence effects, undergoes a degree of racemization (4–10%) during hydrolysis of tetradepsipeptide 6 and octadepsipeptide 9.     

Observation of a near-threshold omegaJ/psi mass enhancement in exclusive B-->KomegaJ/psi decays

We report the observation of a near-threshold enhancement in the omegaJ/psi invariant mass distribution for exclusive B-->KomegaJ/psi decays. The results are obtained from a 253 fb(-1) data sample that contains 275 x 10(6) BB pairs that were collected near the Upsilon(4S) resonance with the Belle detector at the KEKB asymmetric energy e(+)e(-) collider. The statistical significance of the omegaJ/psi mass enhancement is estimated to be greater than 8sigma.     

Einstein-Podolsky-Rosen correlations via dissociation of a molecular Bose-Einstein condensate

Recent experimental measurements of atomic intensity correlations through atom shot noise suggest that atomic quadrature phase correlations may soon be measured with a similar precision. We propose a test of local realism with mesoscopic numbers of massive particles based on such measurements. Using dissociation of a Bose-Einstein condensate of diatomic molecules into bosonic atoms, we demonstrate that strongly entangled atomic beams may be produced which possess Einstein-Podolsky-Rosen (EPR) correlations in field quadratures in direct analogy to the position and momentum correlations originally considered by EPR.