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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the phenylpyridyl moieties. In our best quantum chemical model, we obtain phosphorescence decay times of 264 μs, 13 μs, and 0.9 μs, respectively, for the T{sub 1,I}, T{sub 1,II}, and T{sub 1,III} fine-structure levels in dichloromethane (DCM) solution. In addition to reproducing the correct orders of magnitude for the individual phosphorescence emission probabilities, our theoretical study gives insight into the underlying mechanisms. In terms of intensity borrowing from spin-allowed transitions, the low emission probability of the T{sub 1,I} substate is caused by the mutual cancellation of contributions from several singlet states to the total transition dipole moment. Their contributions do not cancel but add up in case of the much faster T{sub 1,III} → S{sub 0} emission while the T{sub 1,II} → S{sub 0} emission is dominated by intensity borrowing from a single spin-allowed process, i.e., the S{sub 2} → S{sub 0} transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Electronic and chemical structure of an organic light emitter embedded in an inorganic wide-bandgap semiconductor: Photoelectron spectroscopy of layered and composite structures of Ir(BPA) and ZnSe

Luminescent organic phases embedded in conductive inorganic matrices are proposed for hybrid organic-inorganic light-emitting diodes. In this configuration, the organic dye acts as the radiative recombination site for charge carriers injected into the inorganic matrix. Our investigation is aimed at finding a material combination where the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the organic dye are situated in between the valence and conduction bands of the inorganic matrix in order to promote electron and hole transfer from the matrix to the dye. Bilayer and composite thin films of zinc selenide (ZnSe) and a red iridium complex (Ir(BPA)) organic light emitter were prepared in situ via UHV thermal evaporation technique. The electronic and atomic structures were studied applying X-ray and ultraviolet photoelectron spectroscopies. The measured energy band alignments for the ZnSe/Ir(BPA) bilayer and ZnSe+Ir(BPA) composite reveal that the HOMO and LUMO of the organic dye are positioned in the ZnSe bandgap. For the initial steps of ZnSe deposition on a dye film to form Ir(BPA)/ZnSe bilayers, zinc atoms intercalate into the dye film leaving behind an excess of selenium at the interface that partly reacts with dye molecules. Photoelectron spectroscopy of the composites shows the same species suggesting a similar mechanism. This mechanism leads to composite films with increased content of amorphous phases in the inorganic matrix, thereby affecting its conductivity, as well as to the presence of nonradiative recombination sites provided by the intercalated Zn atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A Q-switched Ho:YAG laser assisted nanosecond time-resolved T-jump transient mid-IR absorbance spectroscopy with high sensitivity

Knowledge of dynamical structure of protein is an important clue to understand its biological function in vivo. Temperature-jump (T-jump) time-resolved transient mid-IR absorbance spectroscopy is a powerful tool in elucidating the protein dynamical structures and the folding/unfolding kinetics of proteins in solution. A home-built setup of T-jump time-resolved transient mid-IR absorbance spectroscopy with high sensitivity is developed, which is composed of a Q-switched Cr, Tm, Ho:YAG laser with an output wavelength at 2.09 μm as the T-jump heating source, and a continuous working CO laser tunable from 1580 to 1980 cm{sup −1} as the IR probe. The results demonstrate that this system has a sensitivity of 1 × 10{sup −4} ΔOD for a single wavelength detection, and 2 × 10{sup −4} ΔOD for spectral detection in amide I′ region, as well as a temporal resolution of 20 ns. Moreover, the data quality coming from the CO laser is comparable to the one using the commercial quantum cascade laser.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Dye aggregation identified by vibrational coupling using 2D IR spectroscopy

We report that a model dye, Re(CO){sub 3}(bypy)CO{sub 2}H, aggregates into clusters on TiO{sub 2} nanoparticles regardless of our preparation conditions. Using two-dimensional infrared (2D IR) spectroscopy, we have identified characteristic frequencies of monomers, dimers, and trimers. A comparison of 2D IR spectra in solution versus those deposited on TiO{sub 2} shows that the propensity to dimerize in solution leads to higher dimer formation on TiO{sub 2}, but that dimers are formed even if there are only monomers in solution. Aggregates cannot be washed off with standard protocols and are present even at submonolayer coverages. We observe cross peaks between aggregates of different sizes, primarily dimers and trimers, indicating that clusters consist of microdomains in close proximity. 2D IR spectroscopy is used to draw these conclusions from measurements of vibrational couplings, but if molecules are close enough to be vibrationally coupled, then they are also likely to be electronically coupled, which could alter charge transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

IR photodissociation spectroscopy of (OCS){sub n}{sup +} and (OCS){sub n}{sup −} cluster ions: Similarity and dissimilarity in the structure of CO{sub 2}, OCS, and CS{sub 2} cluster ions

Infrared photodissociation (IRPD) spectra of (OCS){sub n}{sup +} and (OCS){sub n}{sup −} (n = 2–6) cluster ions are measured in the 1000–2300 cm{sup −1} region; these clusters show strong CO stretching vibrations in this region. For (OCS){sub 2}{sup +} and (OCS){sub 2}{sup −}, we utilize the messenger technique by attaching an Ar atom to measure their IR spectra. The IRPD spectrum of (OCS){sub 2}{sup +}Ar shows two bands at 2095 and 2120 cm{sup −1}. On the basis of quantum chemical calculations, these bands are assigned to a C{sub 2} isomer of (OCS){sub 2}{sup +}, in which an intermolecular semi-covalent bond is formed between the sulfur ends of the two OCS components by the charge resonance interaction, and the positive charge is delocalized over the dimer. The (OCS){sub n}{sup +} (n = 3–6) cluster ions show a few bands assignable to “solvent” OCS molecules in the 2000–2080 cm{sup −1} region, in addition to the bands due to the (OCS){sub 2}{sup +} ion core at ∼2090 and ∼2120 cm{sup −1}, suggesting that the dimer ion core is kept in (OCS){sub 3–6}{sup +}. For the (OCS){sub n}{sup −} cluster anions, the IRPD spectra indicate the coexistence of a few isomers with an OCS{sup −} or (OCS){sub 2}{sup −} anion core over the cluster range of n = 2–6. The (OCS){sub 2}{sup −}Ar anion displays two strong bands at 1674 and 1994 cm{sup −1}. These bands can be assigned to a C{sub s} isomer with an OCS{sup −} anion core. For the n = 2–4 anions, this OCS{sup −} anion core form is dominant. In addition to the bands of the OCS{sup −} core isomer, we found another band at ∼1740 cm{sup −1}, which can be assigned to isomers having an (OCS){sub 2}{sup −} ion core; this dimer core has C{sub 2} symmetry and {sup 2}A electronic state. The IRPD spectra of the n = 3–6 anions show two IR bands at ∼1660 and ∼2020 cm{sup −1}. The intensity of the latter component relative to that of the former one becomes stronger and stronger with increasing the size from n = 2 to 4, which corresponds to the increase of “solvent” OCS molecules attached to the OCS{sup −} ion core, but it suddenly decreases at n = 5 and 6. These IR spectral features of the n = 5 and 6 anions are ascribed to the formation of another (OCS){sub 2}{sup −} ion core having C{sub 2v} symmetry with {sup 2}B{sub 2} electronic state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface

Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77 K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Molecular modeling and assignment of IR spectra of the hydrated excess proton in isotopically dilute water

Infrared (IR) spectroscopy of the water O–H stretch has been widely used to probe both the local hydrogen-bonding structure and dynamics of aqueous systems. Although of significant interest, the IR spectroscopy of excess protons in water remains difficult to assign as a result of extensive and strong intermolecular interactions in hydrated proton complexes. As an alternate approach, we develop a mixed quantum-classical model for the vibrational spectroscopy of the excess proton in isotopically dilute water that draws on frozen proton-water clusters taken from reactive molecular dynamics trajectories of the latest generation multi-state empirical valence bond proton model (MS-EVB 3.2). A semi-empirical single oscillator spectroscopic map for the instantaneous transition frequency and transition dipole moment is constructed using potential energy surfaces for the O–H stretch coordinate of the excess proton using electronic structure calculations. Calculated spectra are compared with experimental spectra of dilute H + in D 2 O obtained from double-difference FTIR to demonstrate the validity of the map. The model is also used to decompose IR spectra into contributions from different aqueous proton configurations. We find that the O–H transition frequency continuously decreases as the oxygen-oxygen length for a special pair proton decreases, shifting from Eigen- to Zundel-like configurations. In conclusion, the same shift is accompanied by a shift of the flanking water stretches of the Zundel complex to higher frequency than the hydronium O–H vibrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

IR spectral assignments for the hydrated excess proton in liquid water

The local environmental sensitivity of infrared (IR) spectroscopy to a hydrogen-bonding structure makes it a powerful tool for investigating the structure and dynamics of excess protons in water. Although of significant interest, the line broadening that results from the ultrafast evolution of different solvated proton-water structures makes the assignment of liquid-phase IR spectra a challenging task. In this paper, we apply a normal mode analysis using density functional theory of thousands of proton-water clusters taken from reactive molecular dynamics trajectories of the latest generation multistate empirical valence bond proton model (MS-EVB 3.2). These calculations are used to obtain a vibrational density of states and IR spectral density, which are decomposed on the basis of solvated proton structure and the frequency dependent mode character. Decompositions are presented on the basis of the proton sharing parameter δ, often used to distinguish Eigen and Zundel species, the stretch and bend character of the modes, the mode delocalization, and the vibrational mode symmetry. We find there is a wide distribution of vibrational frequencies spanning 1200-3000 cm -1 for every local proton configuration, with the region 2000-2600 cm -1 being mostly governed by the distorted Eigen-like configuration. Finally, we find a continuous red shift of the special-pair O∙∙∙H + ∙∙∙O stretching frequency, and an increase in the flanking water bending intensity with decreasing δ. Also, we find that the flanking water stretch mode of the Zundel-like species is strongly mixed with the flanking water bend, and the special pair proton oscillation band is strongly coupled with the bend modes of the central H 5 O 2 + moiety.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A comprehensive ARPES study on the type-II Dirac semimetal candidate Ir 1-x Pt x Te 2

The transition metal dichalcogenide Ir 1-x Pt x Te 2 displays both superconductivity and a topological band structure. Using angle-resolved photoemission spectroscopy, we obtain a comprehensive understanding of the three-dimensional electronic structure in the normal state of Ir 1-x Pt x Te 2 for doping levels from x = 0.1 to 0.4, which spans the composition range of a superconducting state to a non-superconducting state. Many features of the electronic structure can be attributed to strong Te–Te interactions between the layers of the layered crystal structure and can be resolved by photon energy dependent measurements. We demonstrate that the type-II Dirac fermions can be successfully tuned via Pt doping, where the Dirac point lies close to the Fermi level for x = 0.1. The band evolution vs doping provides a clearer understanding of the relationship between the superconductivity and electronic structure. In addition, the β band in the superconducting samples locates the system close to a type-II van Hove singularity, where spin triplet paring symmetry has been predicted. Our results provide a comprehensive understanding of the band structure of Ir 1-x Pt x Te 2 , and we discuss the possibilities of the existence of topological superconductivity in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transparent window 2D IR spectroscopy of proteins

Proteins are complex, heterogeneous macromolecules that exist as ensembles of interconverting states on a complex energy landscape. A complete, molecular-level understanding of their function requires experimental tools to characterize them with high spatial and temporal precision. Infrared (IR) spectroscopy has an inherently fast time scale that can capture all states and their dynamics with, in principle, bond-specific spatial resolution. Two-dimensional (2D) IR methods that provide richer information are becoming more routine but remain challenging to apply to proteins. Spectral congestion typically prevents selective investigation of native vibrations; however, the problem can be overcome by site-specific introduction of amino acid side chains that have vibrational groups with frequencies in the “transparent window” of protein spectra. This Perspective provides an overview of the history and recent progress in the development of transparent window 2D IR of proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Engineering structural homogeneity and magnetotransport in strained Nd 2 Ir 2 O 7 films

The 5d pyrochlore iridate family (R 2 Ir 2 O 7 , where R is a rare earth ion) has garnered significant attention due to its topological properties, such as Weyl semimetallic phases and axion insulator. However, the investigation of these properties has been impeded by severe iridium loss during growth, which results in the formation of defects and impurities. Herein, we demonstrate a method for controlling impurities and defects in strained Nd 2 Ir 2 O 7 (NIO-227) films by compensating for iridium loss during growth. By increasing the amount of IrO 2 target ablated, we enhance the morphological quality and electrical transport properties of the fabricated films. Furthermore, our results show that the anomalous Hall effects of the films have a strong dependency on the amount of IrO 2 target ablated, which is attributed to the structural inhomogeneity in the NIO-227 films. Our work provides a way to control defects and impurities and would promote the investigation of topological phases in the family R 2 Ir 2 O 7 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

The first photometric analysis of the near contact binary IR Cas

The first photometric analysis of IR Cas was carried out based on the new observed BVRI light curves. The symmetric light curves and nearly flat secondary minimum indicate that very precise photometric results can be determined. We found that IR Cas is a near contact binary with the primary component filling its Roche lobe. An analysis of the O – C diagram based on all available times of minimum light reveals evidence for a periodic change with a semi-amplitude of 0.0153 days and a period of 39.7 yr superimposed on a secular decrease at a rate of dp/dt = –1.28(± 0.09) × 10{sup –7} days yr{sup –1}. The most reasonable explanation for the periodic change is the light time-travel effect due to a third body. The period decrease may be caused by mass transfer from the primary component to the secondary. With the decreasing period, IR Cas would eventually evolve into a contact system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Magellan adaptive optics first-light observations of the exoplanet β PIC b. I. Direct imaging in the far-red optical with MagAO+VisAO and in the near-IR with NICI {sup ,}

We present the first ground-based CCD (λ < 1 μm) image of an extrasolar planet. Using the Magellan Adaptive Optics system's VisAO camera, we detected the extrasolar giant planet β Pictoris b in Y-short (Y{sub S} , 0.985 μm), at a separation of 0.470 ± 0.''010 and a contrast of (1.63 ± 0.49) × 10{sup –5}. This detection has a signal-to-noise ratio of 4.1 with an empirically estimated upper limit on false alarm probability of 1.0%. We also present new photometry from the Gemini Near-Infrared Coronagraphic Imager instrument on the Gemini South telescope, in CH {sub 4S,1%} (1.58 μm), K{sub S} (2.18 μm), and K {sub cont} (2.27 μm). A thorough analysis of our photometry combined with previous measurements yields an estimated near-IR spectral type of L2.5 ± 1.5, consistent with previous estimates. We estimate log (L {sub bol}/L {sub ☉}) = –3.86 ± 0.04, which is consistent with prior estimates for β Pic b and with field early-L brown dwarfs (BDs). This yields a hot-start mass estimate of 11.9 ± 0.7 M {sub Jup} for an age of 21 ± 4 Myr, with an upper limit below the deuterium burning mass. Our L {sub bol}-based hot-start estimate for temperature is T {sub eff} = 1643 ± 32 K (not including model-dependent uncertainty). Due to the large corresponding model-derived radius of R = 1.43 ± 0.02 R {sub Jup}, this T {sub eff} is ∼250 K cooler than would be expected for a field L2.5 BD. Other young, low-gravity (large-radius), ultracool dwarfs and directly imaged EGPs also have lower effective temperatures than are implied by their spectral types. However, such objects tend to be anomalously red in the near-IR compared to field BDs. In contrast, β Pic b has near-IR colors more typical of an early-L dwarf despite its lower inferred temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Distance and proper motion measurement of water masers in sharpless 269 IRS 2w

We present astrometric analysis of archival data of water masers in the star-forming region Sharpless 269 (S269) IRS 2w, observed with the VLBI Exploration of Radio Astrometry. An annual parallax of one of the bright maser features in this region was previously reported to be 0.189 ± 0.008 milliarcsecond (mas) using part of the same archival data as we used. However, we found that this maser feature is not the best to represent the annual parallax to S269 IRS 2w because the morphology is remarkably elongated in the east-west direction. For this study we have selected another maser feature showing simpler morphology. This makes the new annual parallax estimate more credible. Our newly obtained annual parallax is 0.247 ± 0.034 mas, corresponding to 4.05{sub −0.49}{sup +0.65} kpc. This value is well consistent with the 3.7-3.8 kpc obtained using the kinematic distance estimates and photometric distance modulus. We considered two hypotheses for the water-maser spatial distribution, a bipolar outflow and an expanding ring, in a kinematic model fitting analysis with a radially expanding flow. At this stage, any conclusions about the systemic proper motion could not be drawn from the kinematic analysis. Alternatively, we evaluated the mean proper motion to be (0.39 ± 0.92, –1.27 ± 0.90) mas yr{sup –1} eastward and northward, respectively, from the obtained proper motions of the detected water-maser features. The newly obtained annual parallax and mean proper motion give the peculiar motion of S269 IRS 2w to be (U {sub s}, V {sub s}, W {sub s}) of (8 ± 6, –21 ± 17, 1 ± 18) km s{sup –1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Transition from the infalling envelope to the Keplerian disk around L1551 IRS 5

We present combined Submillimeter Array (SMA) +Atacama Submillimeter Telescope Experiment (ASTE) images of the Class I protobinary L1551 IRS 5 in the CS (J = 7-6) line, the submillimeter images of L1551 IRS 5 with the most complete spatial sampling ever achieved (0.''9-36''). The SMA image of L1551 IRS 5 in the 343 GHz dust-continuum emission is also presented, which shows an elongated feature along the northwest to southeast direction (∼160 AU × 80 AU), perpendicular to the associated radio jets. The combined SMA+ASTE images show that the high-velocity (≳1.5 km s{sup –1}) CS emission traces the structure of the dust component and shows a velocity gradient along the major axis, which is reproduced by a geometrically thin Keplerian-disk model with a central stellar mass of ∼0.5 M {sub ☉}. The low-velocity (≲1.3 km s{sup –1}) CS emission shows an extended (∼1000 AU) feature that exhibits slight south (blueshifted) to north (redshifted) emission offsets, which is modeled with a rotating and infalling envelope with a conserved angular momentum. The rotational motion of the envelope connects smoothly to the inner Keplerian rotation at a radius of ∼64 AU. The infalling velocity of the envelope is ∼three times lower than the free-fall velocity toward the central stellar mass of 0.5 M {sub ☉}. These results demonstrate transition from the infalling envelope to the Keplerian disk, consistent with the latest theoretical studies of disk formation. We suggest that sizable (r ∼ 50-200 AU) Keplerian disks are already formed when the protostars are still deeply embedded in the envelopes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NGC 7538 IRS. 1. Interaction of a polarized dust spiral and a molecular outflow

We present dust polarization and CO molecular line images of NGC 7538 IRS 1. We combined data from the Submillimeter Array, the Combined Array for Research in Millimeter-wave Astronomy, and the James Clerk Maxwell Telescope to make images with ∼2.''5 resolution at 230 and 345 GHz. The images show a remarkable spiral pattern in both the dust polarization and molecular outflow. These data dramatically illustrate the interplay between a high infall rate onto IRS 1 and a powerful outflow disrupting the dense, clumpy medium surrounding the star. The images of the dust polarization and the CO outflow presented here provide observational evidence for the exchange of energy and angular momentum between the infall and the outflow. The spiral dust pattern, which rotates through over 180° from IRS 1, may be a clumpy filament wound up by conservation of angular momentum in the infalling material. The redshifted CO emission ridge traces the dust spiral closely through the MM dust cores, several of which may contain protostars. We propose that the CO maps the boundary layer where the outflow is ablating gas from the dense gas in the spiral.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Investigating Hα, UV, and IR star-formation rate diagnostics for a large sample of z ∼ 2 galaxies

We use a sample of 262 spectroscopically confirmed star-forming galaxies at redshifts 2.08⩽z⩽2.51 to compare Hα, ultraviolet (UV), and IR star formation rate (SFR) diagnostics and to investigate the dust properties of the galaxies. At these redshifts, the Hα line shifts to the K{sub s} band. By comparing K{sub s}-band photometry to underlying stellar population model fits to other UV, optical, and near-infrared data, we infer the Hα flux for each galaxy. We obtain the best agreement between Hα- and UV-based SFRs if we assume that the ionized gas and stellar continuum are reddened by the same value and that the Calzetti attenuation curve is applied to both. Aided with MIPS 24 μm data, we find that an attenuation curve steeper than the Calzetti curve is needed to reproduce the observed IR/UV ratios of galaxies younger than 100 Myr. Furthermore, using the bolometric SFR inferred from the UV and mid-IR data (SFR{sub IR}+SFR{sub UV}), we calculated the conversion between the Hα luminosity and SFR to be (7.5±1.3)×10{sup −42} for a Salpeter initial mass function, which is consistent with the Kennicutt conversion. The derived conversion factor is independent of any assumption of the dust correction and is robust to stellar population model uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗