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The pure rotational spectrum of a(sup 1) (sub g) oxygen in its first excited vibrational state as well as the ground vibrational state rotational spectra of (sup 16)O(sup 18)O and (sup 18)O(sub 2) in their a states have been observed.
Over 150 molecular species have been confirmed in space, primarily by their rotational spectra at millimeter/submillimeter wavelengths, which yield an unambiguous identification. Many of the known interstellar organic molecules cannot be explained by gas-phase chemistry. It is now presumed that they are produced by surface reactions of the simple ices and/or grains observed and released into the gas phase by sublimation, sputtering, etc. Additionally, the chemical complexity found in meteorites and samples returned from comets far surpasses that of the remote detections for the interstellar medium (ISM), comets, and planetary atmospheres. Laboratory simulations of interstellar/cometary ices have found, from the analysis of the remnant residue of the warmed laboratory sample, that such molecules are readily formed; however, it has yet to be determined if they are formed during the warm phase or within the ice during processing. Most analysis of the ice during processing reveals molecular changes, though the exact quantities and species formed are highly uncertain with current techniques due to overwhelming features of simple ices. Remote sensing with high resolution spectroscopy is currently the only method to detect trace species in the ISM and the primary method for comets and icy bodies in the Solar System due to limitations of sample return. We have recently designed an experiment to simulate interstellar/cometary/planetary ices and detect trace species employing the same techniques used for remote observations. Preliminary results will be presented.
The rotational spectra of 79 Br 2 O, 79 BrO 81 Br, and 81 Br 2 O in their ground vibrational states as well as 79 BrO 81 Br in its v 2 = 1 state have been studied in selected regions between 90 and 523 GHz.
It is noted that ethynol (HCCOH), despite the theoretical prediction of its stability to tautomerization to ketene, has thus far not been observed. It is shown here that the identification of this unknown molecule, both in space and in the laboratory, can be aided by an ab initio calculation of spectroscopic parameters. At the HF/3-21G level, harmonic vibrational frequencies are computed by way of analytic second differentiation of the Hartee-Fock (HF) energy with respect to the nuclear coordinates. After applying an empirical scale factor, the resultant frequencies are (per cm) 473, 517, 773, 841, 1003, 1217, 2206, 3285, and 3418. The computed dipole moment at the CISD/DZ+P level is 1.79 D. At the CISD+Q/DZ+P level, the molecule's rotational constants are determined. After scaling by empirical correction factors, they are used in deriving the 4(04) - 3(03) frequency of 76.81 + or - 0.3 GHz with a triplet splitting of 0.30 + or - 0.01 GHz. The triplet splitting involves 4(14) - 3(13) and 4(13) - 3(12) relative to the 4(04) - 3(03) transition as the central line.
Over the last several years, our group has been involved in developing approaches to compute highly accurate spectroscopic constants and vibrational frequencies for small transient molecules that may be used in the interpretation and assignment of high-resolution laboratory experiments as well as high-resolution astronomical spectra. Additionally, we have used the computed spectroscopic constants to simulate purely rotational and rovibrational spectra so that these may be compared directly with high- resolution astronomical observations, and we have worked on developing approaches that can be applied to much larger molecules, such as PAHs, where we can explicitly determine an harmonic corrections to vibrational modes as well as take into account intensity sharing due to resonances. Another part of our work in spectroscopic signatures involves computing highly accurate line lists for common molecules, such as CO2, SO2, and NH3, which occur in many astrophysical environments, including the atmospheres of exoplanets, and often need to have their lines identified in high- resolution observations in order to determine which lines are due to other molecules. In order to characterize the atmospheres of hot exoplanets, these line lists need to be very accurate and extend to very high energies. I will discuss our latest work in these areas of astrochemical spectroscopy research.
We investigate a sample of six Herbig Ae/Be stars belonging to the Orion OB1 association, as well as 73 low-mass objects, members of the σ Orionis cluster, in order to explore the angular momentum evolution at early stages of evolution, and its possible connection with main-sequence Ap/Bp magnetic stars. Using FIES and HECTOCHELLE spectra, we obtain projected rotational velocities through two independent methods. Individual masses, radii, and ages are computed using evolutionary models, distance, and cluster extinction. Under the assumption that similar physical processes operate in both T Tauri and Herbig Ae/Be stars, we construct snapshots of the protostar’s rotation against mass during the first 10 Myr with the aid of a rotational model that includes a variable disk lifetime, changes in the stellar moment of inertia, a dipolar magnetic field with variable strength, and angular momentum loss through stellar winds powered by accretion. We use these snapshots, as well as the rotational data, to infer a plausible scenario for the angular momentum evolution. We find that magnetic field strengths of a few kilo-Gauss at 3 Myr are required to match the rotational velocities of both groups of stars. Models with masses between 2 M {sub ⊙} and 3 M {sub ⊙} display larger angular momentum values by a factor of ~3, in comparison to stars of similar spectral types on the main sequence. Even though some quantitative estimates on this dramatic decrease with age for Ap/Bp magnetic main-sequence stars are presented, the results obtained for the angular momentum evolution do not explain their low rotation rates.
Line mixing effects have been calculated in various parallel and perpendicular bands of self-broadened PH3 lines and compared with recent experimental data. The theoretical approach is an extension to symmetric tops with high inversion barrier of the formalism previously developed for NH3 [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. The model takes into account the non-diagonality of the scattering operator within the line space as well as, in a correct way, the double degeneracy of the j, k levels when k ≠ 0. Transitions between such levels should be considered as doublets whose components may be coupled by the line mixing process. It has been shown that, at low pressure, the inversion of the experimental data will strongly depend on the splitting between the two components of a doublet. When it is significant, one can measure independently both the width of one component and the intra-doublet coupling matrix element. Otherwise, one can only measure the sum of these two elements. Comparisons with measurements show that the present formalism leads to accurate predictions of the experimental line shapes.
The study of noise from a two-shaft contra-rotating open rotor (CROR) is challenging since the shafts are not phase locked in most cases. Consequently, phase averaging of the acoustic data keyed to a single shaft rotation speed is not meaningful. An unaligned spectrum procedure that was developed to estimate a signal coherence threshold and reveal concealed spectral lines in turbofan engine combustion noise is applied to fan and CROR acoustic data in this paper.
The study of noise from a two-shaft contra-rotating open rotor (CROR) is challenging since the shafts are not phase locked in most cases. Consequently, phase averaging of the acoustic data keyed to a single shaft rotation speed is not meaningful. An unaligned spectrum procedure that was developed to estimate a signal coherence threshold and reveal concealed spectral lines in turbofan engine combustion noise is applied to fan and CROR acoustic data in this paper.
The study of noise from a two-shaft contra-rotating open rotor (CROR) is challenging since the shafts are not phase locked in most cases. Consequently, phase averaging of the acoustic data keyed to a single shaft rotation speed is not meaningful. An unaligned spectrum procedure that was developed to estimate a signal coherence threshold and reveal concealed spectral lines in turbofan engine combustion noise is applied to fan and CROR acoustic data in this paper (also available as NASA/TM-2015-218865). The NASA Advanced Air Vehicles Program, Advanced Air Transport Technology Project, Aircraft Noise Reduction Subproject supported the current work. The fan and open rotor data were obtained under previous efforts supported by the NASA Quiet Aircraft Technology (QAT) Project and the NASA Environmentally Responsible Aviation (ERA) Project of the Integrated Systems Research Program in collaboration with GE Aviation, respectively. The overarching goal of the Advanced Air Transport (AATT) Project is to explore and develop technologies and concepts to revolutionize the energy efficiency and environmental compatibility of fixed wing transport aircrafts. These technological solutions are critical in reducing the impact of aviation on the environment even as this industry and the corresponding global transportation system continue to grow.
The IUE spectra of bright F-K dwarfs were used to investigate rotational modulation in chromospheric and transition region emission lines, with Stellingwerf's phase dispersion minimization (PDM) technique as the basis of time series analysis. Sampling-related aliases are found to dominate the PDM spectra in these sparsely sampled, irregularly spaced time series. The star chosen to illustrate the techniques is epsilon Eridani, a young, chromospherically active K2 dwarf. Strong indications of a rotation period close to 2.8 days in epsilon Eridani from 2 seasons of observations, with evidence for the persistence in longitude of the active area(s) over several hundred rotation cycles are found.
The spectra of polar motion excitation functions exhibit enhanced power in the fortnightly tidal band. This enhanced power is attributed to ocean tidal excitation. Ocean tide models predict polar motion excitation effects that differ with each other, and with observations, by factors as large as 2-3. There is a need for inproved models for the effect of long-period ocean tides on Earth's rotation.
The rotational lines of the CN(0,0) red system have been observed to show a strongly asymmetric Zeeman profile. Certain molecules are very susceptible to magnetic perturbation because of the weakness of their spin-rotation coupling; a fairly weak magnetic field can cause a complete Paschen-Back effect. The calculation of transition probabilities incorporating this effect into the Hamiltonian is discussed, and the detailed calculation is then given. The resulting transition probabilities are transformed into synthetic line profiles by using the Unno (1956) model of polarized radiation transfer. The dependence of the net polarized flux on magnetic field and equivalent width is investigated. It is shown that entire band systems may be significantly polarized. Broad-band circular polarization of sunspots may be due, in part, to molecular bands. Analysis of the CH G band indicates a magnetic field of 0.25-0.50 x 10 to the 6th gauss in the white dwarf G99-37, an order of magnitude lower than previous estimates.
Time-sequenced IUE spectra of a number of a bright F-K dwarfs have been used to investigate rotational modulation in several important chromospheric and transition emission lines. Stellingwerf's phase dispersion minimization (PDM) technique forms the basis of this time-series analysis of these sparsely sampled, irregularly spaced observational sequences, which consist of no more than 13 spectra in any one season. In such highly sample-limited time series, the resultant PDM spectrum is greatly complicated by overlapping alias orders which invariably produce strong interference effects, but the deliberately irregular sampling has proven of value in the development of techniques to identify the intrinsic stellar flux modulation period. Two stars are selected to illustrate these new techniques in detail.
The region of planetary atmospheres upward of 1 millimeter is considered. The applications of this region, how microwave, millimeter, and submillimeter spectra (the so called rotational spectra) can fruitfully interact with infrared spectral measurements are described. Both the rotational bands and vibrational bands of molecules are considered. A typical rotational absorption coefficient for a linear molecule in a low J state with a dipole moment of about one Debye is plotted and evaluated. A vibrational case was chosen similarly: the transition dipole moment used for the vibrational case is typical of CO at the peak of its rotational distribution. Information on high altitude parameters that often cannot be obtained from higher frequency spectra, which can be provided by rotational spectra is discussed.
Results from a survey of RS CVn binaries which were observed with the Imaging Proportional Counter (IPC) on board the Einstein Observatory are presented. Spectral analyses of the IPC pulse height spectra show that the coronae of RS CVn binaries always contain hot gas with temperatures 10 million K, similar to active late-type main sequence stars, and that at least 2 temperature components are necessary to account for the higher quality IPC spectra (when absorption is unimportant). It is argued that these bimodal temperature distributions indicate true distributions of emission measure vs temperature that are continuous (just as is the case for magnetically-confined coronal plasma loops observed on the Sun). It is shown that none of the derivable X-ray characteristics of RS CVn binaries depend on rotation period, implying that claims of period-activity relationships in RS CVn binaries are unfounded.
In this work, we demonstrate time-resolved rotational and vibrational temperature measurements to probe plasma non-equilibrium through a simple three-beam hybrid femtosecond/picosecond coherent anti-Stokes Raman scattering (fs/ps CARS) system. A single pump/Stokes pair is employed to generate both the pure-rotational and ro-vibrational Raman coherence. A novel phase-matching scheme, to our knowledge, is employed to spatially overlap the two CARS signals, simplifying the optical design and allowing signal selection by tuning a single spectrometer grating. Measurements were performed near the electrodes in a N 2 DC glow discharge. Both the rotational temperature and the vibrational populations up to $v$ = 8 were calculated from the separately measured single-shot pure-rotational and ro-vibrational CARS spectra. Strong rotation–vibration non-equilibrium was observed at both electrodes, with the cathode showing higher vibrational and rotational temperatures. In addition, non-Boltzmann behaviors were observed at both electrodes. This simplified approach enables measurements of rotational and vibrational temperatures with high spatial resolution in non-equilibrium flows.
Results are presented from a survey of RS CVn binaries which were observed with the imaging proportional counter (IPC) on board the Einstein Observatory. Spectral analyses of the IPC pulse height spectra show that the coronae of RS CVn binaries always contain hot gas with temperatures in excess of 10 to the 7th K, similar to active late-type main-sequence stars, and that at least two temperature components are necessary to account for the higher quality IPC spectra (when absorption is unimportant). It is argued that these bimodal temperature distributions found by the IPC are indicative of true distributions of emission measure versus temperature that are continuous (just as is the case of magnetically confined coronal plasma loops observed on the sun). It is further shown that none of the derivable X-ray characteristics of RS CVn binaries depend on rotation period, implying that previous claims of period-activity relationships in RS CVn binaries were unfounded.