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NASA NTRS1972

Photodissociation of CS2 in the vacuum ultraviolet - Determination of bond dissociation energy from the lowest vibrational level of the ground state CS2.

Photolysis in the vacuum ultraviolet results almost exclusively in the production of S(super-3)P atoms, which is in apparent violation of spin conservation. The threshold energy of incident photons required to produce fluorescence was used to calculate the bond dissociation energy (from the lowest vibrational level of the ground state), and the result agrees with the value previously derived from the photoionization of CS2. The fluorescence excitation spectrum shows peaks corresponding to Rydberg series I and II, indicating that the observed photodissociation of CS2 in the vacuum ultraviolet is mainly the result of predissociation from Rydberg states. The absorption coefficient of CS2 was measured in the region of 1200 to 1400 A.

Okabe, H.↗

NASA NTRS2010

On the Formation of Cometary Carbon Disulfide (CS2)

The formation of cometary CS from CS2 was proposed about 20 years before the latter's detection in comet 122P/de Vico by Jackson et al. (2002). However, the origin of CS2 has received little attention from either experimentalists or theorists. As part of our on-going laboratory program to investigate cometary molecules we have examined chemical reactions that lead to CS2 in the solid state. Icy mixtures of known cometary molecules were proton irradiated near 10K to doses of several eV per molecule. Mid-IR spectroscopy was used as an in situ probe to record both CS2 formation in the ices and the destruction of precursors. We find that the most likely route to cometary CS2 is through OCS by way of the S + CO reaction. We also observe the monocyclic molecule OCS2 as an intermediate on the path from OCS to CS2. This work was funded by NASA's Planetary Geology and Geophysics program.

Hudson, Reggie↗

NASA NTRS1997

A Competitive Kinetics Study of the Reaction of Cl with CS2 in Air at 298 K

The relative rate technique has been used to investigate the kinetics of the reaction of Cl atoms with carbon disulfide, CS2, at 700 Torr total pressure of air at 298 K. The decay rate of CS2 was measured relative to CH4, CH3Cl and CHF2CL. For experiments using CH4 and CH3Cl references, the decay rate of CS2 was dependent on the ratio of the concentration of the reference to that of CS2. We ascribe this behavior to the generation of OH radicals in the system leading to complicated secondary chemistry. From experiments using CHF2Cl we are able to assign an upper limit of 4 x 10(exp -15) cu cm/(molecule s) for the overall reaction, Cl + CS2 yields products.

Wallington, Timothy J.↗

NASA NTRS2009

On the Formation of Cometary Carbon Disulfide (CS2)

The formation of cometary CS molecules from carbon disulfide, CS2 , was proposed about 20 years before the latter's detection in comet 122P/de Vico by Jackson et al. (2002). However, the origin of CS2 has received little attention from either experimentalists or theorists. As part of our on-going laboratory program to investigate cometary molecules we have examined chemical reactions that lead to CS2 in the solid state. Icy mixtures of known cometary molecules were proton irradiated near 10 K to doses of several eV per molecule. Mid-IR spectroscopy was used as an in situ probe to record both CS2 formation in the ices and the destruction of precursors. We find that the most likely route to cometary CS2 is through OCS by way of the S + CO reaction.

Hudson, Reggie↗

NASA NTRS1981

Potential role of CS2 photooxidation in tropospheric sulfur chemistry

Absorption cross section measurements and model calculations indicate that CS2 photooxidation may be an important tropospheric sink for the CS2, giving a lifetime on the order of a week or two. If background CS2 levels are 10-20 pptv, then CS2 photooxidation may be an important global source of OCS as well.

Wine, P. H.↗

NASA NTRS1985

Free tropospheric measurements of CS2 over a 45 deg N to 45 deg S latitude range

The mean value obtained from 52 free tropospheric measurements of CS2 over the 45 deg N-45 deg S latitude range was 5.7 pptv, with standard deviation and standard error of 1.9 and 0.3 pptv, respectively. Large fluctuations in the CS2 concentration are observed which reflect the apparent short atmospheric residence time and inhomogeneities in the surface sources of CS2. The amounts of CS2 in the Northern and Southern Hemispheres are statistically equal.

Tucker, B. J.↗

NASA NTRS1979

Oxidation of CS2 and COS - sources for atmospheric SO2

The oxidation of COS and CS2 by reaction with hydroxyl radicals is investigated as a possible source of atmospheric SO2 in remote marine regions. Calculations of the vertical profiles of SO2 were performed based on a one-dimensional photochemical model of the formation and destruction of SO2 by various processes for observed O3, CO, CH4 and H2O profiles at 15 deg S. Variations in the rate of SO2 destruction, the chosen deposition velocity and the loss due to aerosols are shown to lead to similar SO2 profiles, which indicate higher mixing ratios at high altitude, while the oxidation of dimethyl sulfide or hydrogen sulfide can not account for the profiles observed. Possible diffuse sources of CS2 and COS are indicated, and it is concluded that the oxidation of COS and possibly CS2 may provide an explanation for the existence of a uniform background level of SO2.

Logan, J. A.↗

DOE OSTI2020

Materials Data on CS2 by Materials Project

CS2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four CS2 clusters. C4+ is bonded in a linear geometry to two equivalent S2- atoms. Both C–S bond lengths are 1.56 Å. S2- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2022

AmeriFlux FLUXNET-1F US-CS2 Tri county school Pine Forest

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-CS2 Tri county school Pine Forest. This is the FLUXNET version of the carbon flux data for the site US-CS2 Tri county school Pine Forest produced by applying the standard ONEFlux (1F) software. Site Description - Tri county school Forest

Desai, Ankur↗

NASA NTRS1981

SO2 and CS2 cross section data in the ultraviolet region

Using synchrotron radiation as a continuum background, the cross sections of SO2 in the 208-228 and 299-340 nm region and of CS2 in the 318-350 nm region have been measured with a bandwidth of 0.06 nm. It has been confirmed that the reported band positions of SO2 in the 170-315 nm region by Warneck et al. (1964) should all be shifted by about 0.3 nm toward shorter wavelengths. An important application of the present results is found in the SO2 and CS2 mixing ratio calculations for Venus and Io.

Wu, C. Y. R.↗

NASA NTRS1983

Study of sulfur-containing molecules in the EUV region. III Photoexcitation of CS2

Using synchrotron radiation as a continuum background, the absorption cross section of CS2 has been measured using a double ionization chamber. The cross sections range from four to a maximum value of 65 Mb in the 175-760 A region. Two new Rydberg series X and XI have been identified and apparently converge to the D2Pi state of CS2(+) at 16.943 eV.

Wu, C. Y. R.↗

NASA NTRS1991

Cross sections for direct and dissociative ionization of NH3 and CS2 by electron impact

A crossed electron beam-molecular beam collision geometry is used to measure cross sections for the production of positive ions by electron impact on NH3 and CS2. Ionization cross-section data for NH3 and the values of various cross sections are presented, as well as ionization efficiency curves for CS2. Considerable differences are found between the various results on NH3. The present values are close to the data of Djuric et al. (1981). The semiempirical calculations of Hare and Meath (1987) differ considerably in the absolute values of cross sections. Discrepancies were observed in comparisons of cross sections of other fragment ions resulting from the ionization and dissociate ionization of NH3.

Rao, M. V. V. S.↗

DOE OSTI2020

Materials Data on Cs2(WO4)3 by Materials Project

Cs2(WO4)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 7-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.79 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to five O atoms. There are a spread of Cs–O bond distances ranging from 3.11–3.45 Å. There are three inequivalent W sites. In the first W site, W is bonded to six O atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There are a spread of W–O bond distances ranging from 1.78–2.07 Å. In the second W site, W is bonded to six O atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There are a spread of W–O bond distances ranging from 1.81–2.02 Å. In the third W site, W is bonded to six O atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–32°. There are a spread of W–O bond distances ranging from 1.77–2.09 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Cs and two W atoms. In the second O site, O is bonded in a 1-coordinate geometry to two Cs and one W atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Cs and two W atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to two Cs and one W atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two Cs and one W atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Cs and two W atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Cs and two W atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to one Cs and one W atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Cs and two W atoms. In the tenth O site, O is bonded in a 1-coordinate geometry to two Cs and one W atom. In the eleventh O site, O is bonded in a 1-coordinate geometry to two Cs and one W atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two W atoms.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Brillouin-scattering measurements of the acoustic absorption coefficient in liquid CS2

High-resolution Brillouin spectra were recorded for light scattered at small angles from liquid CS2. The use of a single-mode He-Ne laser, locked in frequency to a Fabry-Perot interferometer, permitted measurements of line widths of the order of 10 MHz for frequencies in the range 300-1000 MHz. These measurements extend previous Brillouin line-width measurements at higher frequencies into the region where relaxation effects are dominant and connect the optical measurements with lower-frequency acoustical data.

Coakley, R. W.↗

NASA NTRS1976

Scattering of high-velocity Ar atoms by CO2, OCS, and CS2

Fast Ar beams have been scattered by room-temperature CO2, OCS, and CS2 to obtain average atom-molecule potentials. The results are consistent with other scattering measurements on similar systems, and are also in excellent agreement with available theoretical calculations based on an electron-gas model. Decomposition of the atom-molecule potentials into constituent atom-atom potentials shows that such a representation can be utilized with fair accuracy but that a definite discrepancy exists.

Amdur, I.↗

NASA NTRS1981

UV studies of electron impact excitation of CS2

The first measurements of emission cross sections of CS2 by electron impact over the wavelength interval 110-510 nm are reported. Absolute emission cross sections are obtained at 100 eV for all spectral features observed in this interval. Emission cross sections as a function of electron energy (0-125 eV) are reported for several of the principal electronic transitions.

Ajello, J. M.↗

NASA NTRS1982

Rate constant for the reaction between OH and CS2 at 298 and 520 K

In an attempt to resolve discrepancies between published values of the rate constant for the reaction between the hydroxyl radical and carbon disulfide, the reaction has been studied in a discharge flow system by using resonance fluorescence for kinetic measurements and mass spectrometry for product analysis. On the basis of the measured rate constant for disappearance of OH, and measurements of the amount of carbonyl sulfide formed, it was estimated that for the reaction HO + CS2 yields HS + OCS, rate constant values are not greater than 3 x 10 to the -15th/cu cm per sec at 520 K and not greater than 7 x 10 to the -15th/cu cm per sec at 298 K, upper limits are specified because of the inability to isolate exclusively this reaction channel, and because of possible involvement of wall reactions. These results confirm the low values found for this rate constant in two very recent studies.

Leu, M.-T.↗

NASA NTRS1982

Photodissociation yields of CS2 at 1060-1520 A

Photoabsorption and fluorescence cross sections of CS2 were measured in the 1060-1520 A region using synchrotron radiation in order to provide information needed for modeling the CS abundance in the interstellar medium. The absorption in the 1060-1200 A region is smooth and continuous, except for the presence of a strong absorption band at 1117 A, while for wavelengths longer than 1200 A, the absorption spectrum shows the structure of Rydberg states. The fluorescence in the 1900-3000 A region begins to appear at 1335 A, and is mainly the CS(A 1Pi-Chi 1Sigma +) transition in the 2400-2800 A region. The fluorescence in the 1900-8000 A region begins to appear at 1490 A, and, in addition to the previous transition, is composed of the transitions of S(1S0-3P1) at 4589 A and of CS(d 3 Delta, a-prime 3Sigma +, and a 3Pi-Chi 1Sigma +) at 3000-4000 A. The quantum yields for the production of fluorescence are determined to have maxima of 13 and 7.5% at 1235 A for the fluorescence in the 1900-8000 and 1900-3000 A regions, respectively.

Day, R. L.↗