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12 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Observations of the SiC2 radical toward IRC + 10216 at 1.27 centimeters

The first centimeter-wave transition of the recently identified SiC2 radical has been observed in the envelope of the evolved carbon star IRC + 10216. The excellent agreement between the measured astronomical rest frequency and the predicted frequency, and the measured line intensity support the SiC2 identification. The high-resolution line profile and mapping data are used to estimate the size of the IRC + 10216 SiC2 envelope and the abundance of SiC2 relative to H2.

Snyder, L. E.↗
NASA NTRS2015

Excited Vibrational Level Rotational Constants for SiC2: A Sensitive Molecular Diagnostic for Astrophysical Conditions

Silacyclopropynylidene, SiC2, is a known and highly abundant circumstellar molecule. Its spectrum has been established as a major component of lines observed toward the carbon-rich star IRC +10216 (CW Leonis). It has been detected in its low-lying v(sub 3) = 1 and 2 vibrational states as well as in various isotopic compositions. Increasing sensitivity and spatial resolution will enable many more emission or absorption lines to be detected. In order to detect new molecular species, unassigned lines of known species must be identified. This work uses established ab initio quartic force fields to produce data necessary for this classification of lines related to SiC2. Agreement between the theoretical vibrational frequencies and known rotational and spectroscopic constants is quite good, as good as 5 cm(exp -1) and 3 MHz, respectively in some cases. Additionally, experimentally unknown vibrational frequencies and rotational constants are provided for the first overtones and combination bands in addition to 3(sub v3), the second overtone of the low-lying antisymmetric stretch/carbide rotation mode. Frequencies of v(sub 3) = 3 low-J rotational transitions of the main isotopic species are also estimated from published data for v(sub 3) ≤ 2. Further, we determine rotational and centrifugal distortion parameters for which in most cases vibrational effects due to the v(sub 3) mode were reduced to first, and in several cases also to second order. These values may approximate equilibrium values better than the ground state values. The data produced herein will aid in the experimental and observational characterization of this known astromolecule in order to identify some of the unassigned lines for a known entity.

Astrochemistry↗
DOE OSTI2020

Materials Data on SiC2 by Materials Project

SiC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Si4+ is bonded to four equivalent C2- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. C2- is bonded in a trigonal planar geometry to two equivalent Si4+ and one C2- atom. The C–C bond length is 1.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiC2 by Materials Project

SiC2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Si4+ is bonded to six equivalent C2- atoms to form SiC6 octahedra that share corners with twelve equivalent SiC6 octahedra and corners with six equivalent CSi3C tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Si–C bond lengths are 2.08 Å. C2- is bonded to three equivalent Si4+ and one C2- atom to form CSi3C tetrahedra that share corners with three equivalent SiC6 octahedra and corners with fifteen equivalent CSi3C tetrahedra. The corner-sharing octahedral tilt angles are 70°. The C–C bond length is 1.36 Å.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Molecular column densities in selected model atmospheres

From an examination of predicted column densities, the following conclusions were drawn: (1) The SiO ought to be visible in carbon stars which were generated from triple alpha burning, but absent from carbon stars generated from the CNO bi-cycle. (2) Variation in the observed relative strengths of TiO and ZrO is indicative of real differences in the ratio Ti/Zr. (3) The TiO/ZrO ratio shows a small variation as C/O and effective temperature is changed. (4) Column density of silicon dicarbide (SiC2) is sensitive to abundance, temperature, and gravity; hence all relationships between the strength of SiC2 and other stellar parameters will show appreciable scatter. There is however, a substantial luminosity effect present in the SiC2 column densities. (5) Unexpectedly, SiC2 is anti-correlated with C2. (6) The presence of SiC2 in a carbon star eliminates the possibility of these stars having temperatures greater than or equal to 3000 K, or being produced through the CNO bi-cycle.

Johnson, H. R.↗
NASA NTRS1975

Molecular column densities in selected model atmospheres

Molecular column densities are presented for 35 molecules in a variety of cool stellar model atmospheres. From an examination of the predicted column densities, we draw the following conclusions: (1) OH might be visible in carbon stars which have been generated from triplet-alpha burning, but will be absent from carbon stars generated from the CNO bi-cycle; (2) the TiO/ZrO ratio shows small but interesting variations as C/O is changed and as the effective temperature is changed; (3) the column density of silicon dicarbide (SiC2) is sensitive to abundance, temperature, and gravity; hence, all relationships between the strength of SiC2 and other stellar parameters will show appreciable scatter. There is, however, a substantial luminosity effect present in the SiC2 column densities; (4) unexpectedly, SiC2 is anticorrelated with C2; (5) the presence of SiC2 in a carbon star allows us to eliminate the possibility that these stars are both 'hot' (T sub eff greater than or equal to 3000 K) and have been produced through the CNO bi-cycle (so that C/H is less than solar).

Johnson, H. R.↗
NASA NTRS1983

Theoretical study of silicon dicarbide

Silicon dicarbide was first observed in 1926 in spectra of cool carbon stars. The carrier of these bands around 5000 A was tentatively identified as SiC2 by Kleman (1956) who produced similar spectra by inserting silicon into the graphite tube of a King furnace heated to over 2500 K. This identification was strengthened by subsequent mass spectral studies which showed SiC2 as a major molecular component of vaporized silicon carbide. The present investigation is concerned with calculations which were initiated in an attempt to understand more recent astronomical observations of unidentified lines in the millimeter-wave region of the spectrum. The calculations were designed to determine the ground state equilibrium structure and to obtain vibrational and rotational constants. Calculations for estimating the positions and structure of low-lying electronic states were also performed. Self-consistent field (SCF) calculations were performed assuming a closed-shell electronic structure analogous to that in C3. Calculations were conducted for symmetric CSiC, and asymmetric SiCC forms.

Green, S.↗
NASA NTRS1973

Dust particles and molecules in the extended atmospheres of carbon stars

It is shown that the absorption due to a circumstellar shell containing solid silicon carbide particles can very nicely explain the observed strong violet opacity in stars in which the carbon to oxygen ratio is greater than 1. It has been shown by Friedemann and Gilman that solid SiC particles can form in the cooler outer layers of such stars. Thermal re-emission from SiC particles is predicted to be in the 10-13 micron region, and recent infrared observations by Hackwell show an emission band in this region, thereby strongly supporting the SiC suggestion. It is also shown that the opacity due to C3 pseudocontinuum is not adequate to explain the observed violet opacity. It is suggested that the vibrational bands of C3 and SiC2 molecules should be among the major opacity sources in the infrared spectra of the late N-type carbon stars and some of the observed bands may be, at least in part, due to these molecules.

Gilra, D. P.↗
NASA NTRS1980

The infrared spectrum of the carbon star Y Canum Venaticorum between 1.2 and 30 microns

The paper deals with spectrophotometric observations covering the essentially complete wavelength interval between 1.2 and 30.0 microns. The observations confirm the identification of the C3 band at 5.2 microns. They show that if SiC2 is present, the SiC1 absorption band at 5.7 microns would be obscured by C3 at a 1% spectral resolution. Silicon carbide emission at 11.5 microns exists simultaneously with C3 absorption at 5.2 microns, requiring a contribution of both species to the violet opacity of Y CVn.

Goebel, J. H.↗
NASA NTRS1987

Collisional excitation of an asymmetric rotor, silicon dicarbide

Rotational excitation rates have been computed for the asymmetric top molecule SiC2 in collisions with low-energy He atoms. The intermolecular forces were obtained from an electron gas model, and collision dynamics were treated within the infinite-order sudden approximation. Total excitation rates, i.e., summed over final levels, are expected to be accurate to about 50 percent, and the larger state-to-state rates are likely to be within a factor of about 2 of the correct values, although some of the smaller (and less important) rates may be less accurate. These rates are also thought to reflect, within this level of accuracy, rates for excitation by collisions with H2 molecules.

Palma, Amedeo↗
NASA NTRS2010

Comparative Spectra of Oxygen-Rich Versus Carbon-Rich Circumstellar Shells: VY Canis Majoris and IRC(plus)10216 at 215-285 GHz

A sensitive (1sigma rms at 1 MHz resolution approx.3 mK) 1 mm spectral line survey (214.5-285.5 GHz) of VY Canis Majoris (VY CMa) and IRC +10216 has been conducted to compare the chemistries of oxygen- and carbon-rich circumstellar envelopes. This study was carried out using the Submillimeter Telescope of the Arizona Radio Observatory with a new Atacama Large Millimeter Array type receiver. This survey is the first to chemically characterize an O-rich circumstellar shell at millimeter wavelengths. In VY CMa, 128 emission features were detected arising from 18 different molecules; and in IRC +10216, 720 lines were observed, assigned to 32 different species. The 1 mm spectrum of VY CMa is dominated by SO, and SiS; in IRC +10216, C4H and SiC2 are the most recurrent species. Ten molecules were common to both sources: CO, SiS, SiO, CS, CN, HCN, HNC, NaCl, PN, and HCO(+). Sulfur plays an important role in VY CMa, but saturated/ unsaturated carbon dominates the molecular content of IRC +102.16, producing CH2NH, for example. Although the molecular complexity of IRC +10216 is greater, VY CMa supports a unique "inorganic" chemistry leading to the oxides PO, AlO, and AlOH. Only diatomic and triatomic compounds were observed in VY CMa, while species with four or more atoms are common in IRC +10216, reflecting carbon's ability to form multiple strong bonds, unlike oxygen. In VY CMa, a new water maser (v2 = 2) has been found, as well as vibrationally excited NaCl. Toward IRC +10216, vibrationally excited CCH was detected for the first time.

Tenebaum, E. D.↗