Structure of solid monolayers and multilayers of n -hexane on graphite

We present all-atom molecular dynamics simulations ofn-hexane on the basal plane of graphite at monolayer and multilayer coverages. In keeping with experimental data, we find the presence of ordered adsorbed layers both at single monolayer coverage and when the adsorbed layer coexists with excess liquid adsorbate. Using a simulation method that does not impose any particular periodicity on the adsorbed layer, we quantitatively compare our results to the results of neutron diffraction experiments and find a structural transition from a uniaxially incommensurate lattice to a fully commensurate structure on increasing the coverage from a monolayer to a multilayer. The zig-zag backbone planes of all the alkane molecules lie parallel to the graphite surface at the multilayer coverage, while a few molecules are observed to attain the perpendicular orientation at monolayer coverage. Dedicated to Professor C N R Rao on his 70th birthday     

Rovibrational matrix elements of polarizability of HD, HT and DT molecules

Fresh computations of rovibrational matrix elements of the polarizability α[=(α_||+2α_⊥)/3] and the polarizability anisotropy γ(=α_||−α_⊥) of the heteronuclear isotopomers, HD, HT, and DT, of the hydrogen molecule are presented. The computations combine the most accurate polarizability functions α(R) and γ(R) (R being the bond distance) on the one hand and the most accurate adiabatic potential on the other. The calculations are extended to the product operators xα and xγ where x is the centre of mass to centre of charge separation in the heteronuclear species. The latter matrix elements are needed, additionally, for elucidating the absorption intensities of some of the zero-phonon rovibrational transitions peculiar to the heteronuclear species in the crystalline phase.     

Crystal structure of the 4-chromanone derivative.

The title compound was extracted from a natural product and its structure was characterized by an X-ray diffraction method. It crystallizes in the tetragonal space group P41 with cell parameters a = 15.832(10)A, c = 11.622(10)A, Z = 4; the final residual factor is R1 = 0.0769. The structure has both intra and intermolecular hydrogen bonds.     

Additive-subtractive phase-modulated speckle interferometry: Fringe visibility under partial decorrelation

Additive-subtractive phase modulated speckle interferometry (ASPMSI) is a technique that minimizes the susceptibility of speckle methods to environmental noise while providing fringes of good visibility. The method requires the acquisition of two consecutive video frames of additive-speckle images of the same two deformed states of an object at a rapid enough rate such that ambient noise is not a problem. The additive-speckle images as expected are of very poor visibility due to the presence of the self-interference term. An interframe phase-modulation is introduced and the two additive-speckle images are digitally subtracted to improve the fringe visibility by removing the self-interference term. The ASPM-SI method works with in-plane and out-of-plane deformation sensitive ESPI as well as with displacement-gradient sensitive speckle-shearing interferometry. It is shown that the ASPM-SI scheme has higher visibility than conventional additive-SI and performs consistently better than subtractive-SI schemes in the presence of partial interframe speckle decorrelating optical noise. Furthermore, it is shown that the fringe visibility of the out-of-plane displacement sensitive interferometer which uses a protected reference beam separate from the object beam can be made to be essentially unity even at complete interframe decorrelation.     

Imino Diels–Alder adducts. XII. Two pyrano[3,2‐c]quinolines

The crystal structures of pyrano­quinolines 9‐fluoro‐5‐phenyl‐3,4,4a,5,6,10b‐hexa­hydro‐2H‐pyrano[3,2‐c]quinoline, C₁₈H₁₈FNO, and 9‐methyl‐5‐phenyl‐3,4,4a,5,6,10b‐hexa­hydro‐2H‐pyrano­[3,2‐c]quinoline, C₁₉H₂₁NO, are isomorphous. In both structures, the pyran ring is exo to the six‐membered N‐heterocyclic ring formed in the cyclo­addition step. The torsion angles across the phenyl linkage for the two structures are −91.2 (1) and −88.3 (2)°. The striking feature in both crystal packings is that they do not contain the expected conventional hydrogen bonds, in spite of the presence of good hydrogen‐bonding functionalities. Possible C—H⋯π inter­actions are, however, observed.     

Information recovery from black holes

We argue that if black hole entropy arises from a finite number of underlying quantum states, then any particular such state can be identified from infinity. The finite density of states implies a discrete energy spectrum, and, in general, such spectra are non-degenerate except as determined by symmetries. Therefore, knowledge of the precise energy, and of other commuting conserved charges, determines the quantum state. In a gravitating theory, all conserved charges including the energy are given by boundary terms that can be measured at infinity. Thus, within any theory of quantum gravity, no information can be lost in black holes with a finite number of states. However, identifying the state of a black hole from infinity requires measurements with Planck scale precision. Hence observers with insufficient resolution will experience information loss. First Award in the 2006 Essay Competition of the Gravity Research Foundation.     

Working group report: Collider Physics

This is summary of the activities of the working group on collider physics in the IXth Workshop on High Energy Physics Phenomenology (WHEPP-9) held at the Institute of Physics, Bhubaneswar, India in January 2006. Some of the work subsequently done on these problems by the subgroups formed during the workshop is included in this report.     

Nuclear effects in the hadroproduction and photoproduction ofJ/ψ

Hadroprduction ofJ/ψ in π^? nucleus collisions is studied in the context of the colour singlet model using nuclear structure functions from three different models of the EMC effect. We conclude that it is possible to understand the data on the large transverse momentum (p _T ) and small Feynmanx (x _F ) of theJ/ψ in terms of the nuclear dependence of structure functions alone. We further show that these data can be used to distinguish between different models of the EMC effect, and that a study of distributions in various kinematic variables in photoproduction ofJ/ψ should be able to very effectively supplement the information obtained from hadroproduction experiments.     

Vibrational spectra of (NH4)3ZnCl5

IR and Raman spectra of (NH₄)₃ZnCl₅ have been recorded. The observed spectra have been analysed on the basis of the vibrations of ZnCl ₄ ²⁻ and NH ₄ ⁺ ions. The appearance of multiple Raman bands indicates the presence of two different types of ammonium ions. The effect of anisotropic crystalline field over the ZnCl₄ and NH₄ tetrahedra is also discussed. The assignment of internal modes has been verified by the potential energy distribution calculations.