Notations and conventions in molecular spectroscopy: part 1. General spectroscopic notation

The field of Molecular Spectroscopy was surveyed in order to determine a set of conventions and symbols which are in common use in the spectroscopic literature. This document, which is Part I in a series, establishes the notations and conventions used for general spectroscopic notations and deals with quantum mechanics, quantum numbers (vibrational states, angular momentum and energy levels), spectroscopic transitions, and miscellaneous notations (e.g. spectroscopic terms). Further parts will follow, dealing inter alia with symmetry notation, permutation and permutation-inversion symmetry notation, vibration-rotation spectroscopy and electronic spectroscopy

Notations and conventions in molecular spectroscopy: part 2. Symmetry notation

The field of Molecular Spectroscopy was surveyed in order to determine a set of conventions and symbols which are in common use in the spectroscopic literature. This document, which is Part 2 in a series, establishes the notations and conventions used for the description of symmetry in rigid molecules, using the Schoenflies notation. It deals firstly with the symmetry operators of the molecular point groups (also drawing attention to the difference between symmetry operators and elements). The conventions and notations of the molecular point groups are then established, followed by those of the representations of these groups as used in molecular spectroscopy. Further parts will follow, dealing inter alia with permutation and permutation-inversion symmetry notation, vibration-rotation spectroscopy and electronic spectroscopy

β-Alanine Supplementation Has No Effect on Rowing Performance in College Age Athletes

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AKARI near-infrared spectroscopy of the aromatic and aliphatic hydrocarbon emission features in the galactic superwind of M 82

Aims. We investigate the properties of hydrocarbon grains in the galactic superwind of M 82. Methods. With AKARI, we performed near-infrared (2.5 - 4.5 um) spectroscopic observations of 34 regions in M 82 including its northern and southern halos. Results. Many of the spectra show strong emission at 3.3 um due to polycyclic aromatic hydrocarbons (PAHs) and relatively weak features at 3.4 - 3.6 um due to aliphatic hydrocarbons. In particular, we clearly detect the PAH 3.3 um emission and the 3.4 - 3.6 um features in halo regions, which are located at a distance of 2 kpc away from the galactic center. We find that the ratios of the 3.4 - 3.6 um features to the 3.3 um feature intensity significantly increase with distance from the galactic center, while the ratios of the 3.3 um feature to the AKARI 7 um band intensity do not. Conclusions. Our results clearly confirm the presence of small PAHs even in a harsh environment of the halo of M 82. The results also reveal that the aliphatic hydrocarbons emitting the 3.4 - 3.6 um features are unusually abundant in the halo, suggesting that small carbonaceous grains are produced by shattering of larger grains in the galactic superwind.Comment: 5 pages, 3 figures, 1 table, accepted for publication in A&

Dust Dynamics in Compressible MHD Turbulence

We calculate the relative grain-grain motions arising from interstellar magnetohydrodynamic (MHD) turbulence. The MHD turbulence includes both fluid motions and magnetic fluctuations. While the fluid motions accelerate grains through hydro-drag, the electromagnetic fluctuations accelerate grains through resonant interactions. We consider both incompressive (Alfv\'{e}n) and compressive (fast and slow) MHD modes and use descriptions of MHD turbulence obtained in Cho & Lazarian (2002). Calculations of grain relative motion are made for realistic grain charging and interstellar turbulence that is consistent with the velocity dispersions observed in diffuse gas, including cutoff of the turbulence from various damping processes. We show that fast modes dominate grain acceleration, and can drive grains to supersonic velocities. Grains are also scattered by gyroresonance interactions, but the scattering is less important than acceleration for grains moving with sub-Alfv\'{e}nic velocities. Since the grains are preferentially accelerated with large pitch angles, the supersonic grains will be aligned with long axes perpendicular to the magnetic field. We compare grain velocities arising from MHD turbulence with those arising from photoelectric emission, radiation pressure and H$_{2}$ thrust. We show that for typical interstellar conditions turbulence should prevent these mechanisms from segregating small and large grains. Finally, gyroresonant acceleration is bound to preaccelerate grains that are further accelerated in shocks. Grain-grain collisions in the shock may then contribute to the overabundance of refractory elements in the composition of galactic cosmic rays.Comment: 15 pages, 17 figure

Speckle interferometry and radiative transfer modelling of the Wolf-Rayet star WR 118

WR 118 is a highly evolved Wolf-Rayet star of the WC10 subtype surrounded by a permanent dust shell absorbing and re-emitting in the infrared a considerable fraction of the stellar luminosity. We present the first diffraction-limited 2.13micron speckle interferometric observations of WR 118 with 73 mas resolution. The speckle interferograms were obtained with the 6m telescope at the Special Astrophysical Observatory. The two-dimensional visibility function of the object does not show any significant deviation from circular symmetry. The visibility curve declines towards the diffraction cut-off frequency to 0.66 and can be approximated by a linear function. Radiative transfer calculations have been carried out to model the spectral energy distribution, given in the range of 0.5-25micron, and our 2.13micron visibility function, assuming spherical symmetry of the dust shell. Both can be fitted with a model containing double-sized grains (``small'' and ``large'') with the radii of a = 0.05micron and 0.38micron, and a mass fraction of the large grains greater than 65%. Alternatively, a good match can be obtained with the grain size distribution function n(a)~a^-3, with a ranging between 0.005micron and 0.6micron. At the inner boundary of the modelled dust shell (angular diameter (17 +/- 1)mas), the temperature of the smallest grains and the dust shell density are 1750K +/- 100K and (1 +/- 0.2)x10^-19 g/cm^3, respectively. The dust formation rate is found to be (1.3 +/- 0.5)x10^-7 Msol/yr assuming Vwind = 1200 km/s.Comment: 6 pages including 4 PostScript figures, also available from http://www.mpifr-bonn.mpg.de/div/ir-interferometry/publications.html; accepted for publication in Astronomy & Astrophysic

Blackbody-radiation-assisted molecular laser cooling

The translational motion of molecular ions can be effectively cooled sympathetically to temperatures below 100 mK in ion traps through Coulomb interactions with laser-cooled atomic ions. The distribution of internal rovibrational states, however, gets in thermal equilibrium with the typically much higher temperature of the environment within tens of seconds. We consider a concept for rotational cooling of such internally hot, but translationally cold heteronuclear diatomic molecular ions. The scheme relies on a combination of optical pumping from a few specific rotational levels into a ``dark state'' with redistribution of rotational populations mediated by blackbody radiation.Comment: 4 pages, 5 figure

Boron and nitrogen isotope effects on hexagonal boron nitride properties

The unique physical, mechanical, chemical, optical, and electronic properties of hexagonal boron nitride (hBN) make it a promising two-dimensional material for electronic, optoelectronic, nanophotonic, and quantum devices. Here we report on the changes in hBN's properties induced by isotopic purification in both boron and nitrogen. Previous studies on isotopically pure hBN have focused on purifying the boron isotope concentration in hBN from its natural concentration (approximately 20 at$\%$ $^{10}$B, 80 at$\%$ $^{11}$B) while using naturally abundant nitrogen (99.6 at$\%$ $^{14}$N, 0.4 at$\%$ $^{15}$N), i.e. almost pure $^{14}$N. In this study, we extend the class of isotopically-purified hBN crystals to $^{15}$N. Crystals in the four configurations, namely h$^{10}$B$^{14}$N, h$^{11}$B$^{14}$N, h$^{10}$B$^{15}$N, and h$^{11}$B$^{15}$N, were grown by the metal flux method using boron and nitrogen single isotope ($>99\%$) enriched sources, with nickel plus chromium as the solvent. In-depth Raman and photoluminescence spectroscopies demonstrate the high quality of the monoisotopic hBN crystals with vibrational and optical properties of the $^{15}$N-purified crystals at the state of the art of currently available $^{14}$N-purified hBN. The growth of high-quality h$^{10}$B$^{14}$N, h$^{11}$B$^{14}$N, h$^{10}$B$^{15}$N, and h$^{11}$B$^{15}$N opens exciting perspectives for thermal conductivity control in heat management, as well as for advanced functionalities in quantum technologies.Comment: 13 pages, 7 figure

Isotopic control of the boron-vacancy spin defect in hexagonal boron nitride

We report on electron spin resonance (ESR) spectroscopy of boron-vacancy (V$_\text{B}^-$) centers hosted in isotopically-engineered hexagonal boron nitride (hBN) crystals. We first show that isotopic purification of hBN with $^{15}$N yields a simplified and well-resolved hyperfine structure of V$_\text{B}^-$ centers, while purification with $^{10}$B leads to narrower ESR linewidths. These results establish isotopically-purified h$^{10}$B$^{15}$N crystals as the optimal host material for future use of V$_\text{B}^-$ spin defects in quantum technologies. Capitalizing on these findings, we then demonstrate optically-induced polarization of $^{15}$N nuclei in h$^{10}$B$^{15}$N, whose mechanism relies on electron-nuclear spin mixing in the V$_\text{B}^-$ ground state. This work opens up new prospects for future developments of spin-based quantum sensors and simulators on a two-dimensional material platform.Comment: 6 pages, 3 figur

Abundance analysis for long period variables. Velocity effects studied with O-rich dynamic model atmospheres

(abbreviated) Measuring the surface abundances of AGB stars is an important tool for studying the effects of nucleosynthesis and mixing in the interior of low- to intermediate mass stars during their final evolutionary phases. The atmospheres of AGB stars can be strongly affected by stellar pulsation and the development of a stellar wind, though, and the abundance determination of these objects should therefore be based on dynamic model atmospheres. We investigate the effects of stellar pulsation and mass loss on the appearance of selected spectral features (line profiles, line intensities) and on the derived elemental abundances by performing a systematic comparison of hydrostatic and dynamic model atmospheres. High-resolution synthetic spectra in the near infrared range were calculated based on two dynamic model atmospheres (at various phases during the pulsation cycle) as well as a grid of hydrostatic COMARCS models. Equivalent widths of a selection of atomic and molecular lines were derived in both cases and compared with each other. In the case of the dynamic models, the equivalent widths of all investigated features vary over the pulsation cycle. A consistent reproduction of the derived variations with a set of hydrostatic models is not possible, but several individual phases and spectral features can be reproduced well with the help of specific hydrostatic atmospheric models. In addition, we show that the variations in equivalent width that we found on the basis of the adopted dynamic model atmospheres agree qualitatively with observational results for the Mira R Cas over its light cycle. The findings of our modelling form a starting point to deal with the problem of abundance determination in strongly dynamic AGB stars (i.e., long-period variables).Comment: 13 pages, 22 figures, accepted for publication in A&