Breakdown of the perturbative renormalization group for S >= 1 random antiferromagnetic spin chains

We investigate the application of a perturbative renormalization group (RG) method to random antiferromagnetic Heisenberg chains with arbitrary spin size. At zero temperature we observe that initial arbitrary probability distributions develop a singularity at J=0, for all values of spin S. When the RG method is extended to finite temperatures, without any additional assumptions, we find anomalous results for S >= 1. These results lead us to conclude that the perturbative scheme is not adequate to study random chains with S >= 1. Therefore a random singlet phase in its more restrictive definition is only assured for spin-1/2 chains.Comment: 5 pages, 3 figures. To appear in Physical Review

Single and Double Photoionization and Photodissociation of Toluene by Soft X-rays in Circumstellar Environment

The formation of polycyclic aromatic hydrocarbons (PAHs) and their methyl derivatives occurs mainly in the dust shells of asymptotic giant branch (AGB) stars. The bands at 3.3 and 3.4 $\mu$m, observed in infrared emission spectra of several objects, are attributed C-H vibrational modes in aromatic and aliphatic structures, respectively. In general, the feature at 3.3 $\mu$m is more intense than the 3.4 $\mu$m. Photoionization and photodissociation processes of toluene, the precursor of methylated PAHs, were studied using synchrotron radiation at soft X-ray energies around the carbon K edge with time-of-flight mass spectrometry. Partial ion yields of a large number of ionic fragments were extracted from single and 2D-spectra, where electron-ion coincidences have revealed the doubly charged parent-molecule and several doubly charged fragments containing seven carbon atoms with considerable abundance. \textit{Ab initio} calculations based on density functional theory were performed to elucidate the chemical structure of these stable dicationic species. The survival of the dications subjected to hard inner shell ionization suggests that they could be observed in the interstellar medium, especially in regions where PAHs are detected. The ionization and destruction of toluene induced by X-rays were examined in the T Dra conditions, a carbon-rich AGB star. In this context, a minimum photodissociation radius and the half-life of toluene subjected to the incidence of the soft X-ray flux emitted from a companion white dwarf star were determined.Comment: 11 pages, 4 figures, accept for publication in Ap

Molecules with a peptide link in protostellar shocks: a comprehensive study of L1157

Interstellar molecules with a peptide link -NH-C(=O)-, like formamide (NH$_2$CHO), acetamide (NH$_2$COCH$_3$) and isocyanic acid (HNCO) are particularly interesting for their potential role in pre-biotic chemistry. We have studied their emission in the protostellar shock regions L1157-B1 and L1157-B2, with the IRAM 30m telescope, as part of the ASAI Large Program. Analysis of the line profiles shows that the emission arises from the outflow cavities associated with B1 and B2. Molecular abundance of $\approx~(0.4-1.1)\times 10^{-8}$ and $(3.3-8.8)\times 10^{-8}$ are derived for formamide and isocyanic acid, respectively, from a simple rotational diagram analysis. Conversely, NH$_2$COCH$_3$ was not detected down to a relative abundance of a few $\leq 10^{-10}$. B1 and B2 appear to be among the richest Galactic sources of HNCO and NH$_2$CHO molecules. A tight linear correlation between their abundances is observed, suggesting that the two species are chemically related. Comparison with astrochemical models favours molecule formation on ice grain mantles, with NH$_2$CHO generated from hydrogenation of HNCO.Comment: 11 pages, 9 figures. Accepted for publication in MNRAS Main Journal. Accepted 2014 August 19, in original form 2014 July

Dissociation of the benzene molecule by UV and soft X-rays in circumstellar environment

Benzene molecules, present in the proto-planetary nebula CRL 618, are ionized and dissociated by UV and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time of flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum ultraviolet (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C6H6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to X-rays. Partial ion yields of H+ and small hydrocarbons such as C2H2+, C3H3+ and C4H2+ are determined as a function of photon energy. Absolute photoionization and dissociative photoionization cross sections have also been determined. From these values, half-life of benzene molecule due to UV and X-ray photon fluxes in CRL 618 were obtained.Comment: The paper contains 8 pages, 9 figures and 4 tables. Accepted to be published on MNRAS on 2008 November 2

Entanglement Entropy in Random Quantum Spin-S Chains

We discuss the scaling of entanglement entropy in the random singlet phase (RSP) of disordered quantum magnetic chains of general spin-S. Through an analysis of the general structure of the RSP, we show that the entanglement entropy scales logarithmically with the size of a block and we provide a closed expression for this scaling. This result is applicable for arbitrary quantum spin chains in the RSP, being dependent only on the magnitude S of the spin. Remarkably, the logarithmic scaling holds for the disordered chain even if the pure chain with no disorder does not exhibit conformal invariance, as is the case for Heisenberg integer spin chains. Our conclusions are supported by explicit evaluations of the entanglement entropy for random spin-1 and spin-3/2 chains using an asymptotically exact real-space renormalization group approach.Comment: 5 pages, 4 figure

[1-(3-Chloro­phen­yl)-1H-1,2,3-triazol-4-yl]methanol hemihydrate

The asymmetric unit of the title hydrate, C9H8ClN3O·0.5H2O, comprises two independent 1,2,3-triazole mol­ecules and a water mol­ecule of crystallization. The dihedral angles between the six- and five-membered rings in the 1,2,3-triazole mol­ecules are 12.71 (19) and 17.3 (2)°. The most significant different between them is found in the relative orientations of the terminal CH2OH groups with one being close to perpendicular to the five-membered ring [N—C—C—O torsion angle = 82.2 (5)°], while in the other mol­ecule, a notable deviation from a perpendicular disposition is found [torsion angle = −60.3 (5)°]. Supra­molecular chains feature in the crystal packing sustained by O—H⋯(O,N) inter­actions along the a-axis direction. The chains are connected via C—H⋯N inter­actions and the resultant layers stack along the b axis

Ising Spin Glass in a Transverse Magnetic Field

We study the three-dimensional quantum Ising spin glass in a transverse magnetic field following the evolution of the bond probability distribution under Renormalisation Group transformations. The phase diagram (critical temperature $T_c$ {\em vs} transverse field $\Gamma$) we obtain shows a finite slope near $T=0$, in contrast with the infinite slope for the pure case. Our results compare very well with the experimental data recently obtained for the dipolar Ising spin glass LiHo$_{0.167}$Y$_{0.833}$F$_4$, in a transverse field. This indicates that this system is more apropriately described by a model with short range interactions than by an equivalent Sherrington-Kirkpatrick model in a transverse field.Comment: 7 pages, RevTeX3, Nota Cientifica PUC-Rio 23/9