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112 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

In situ observations of BrO over Antarctica: ER-2 aircraft results from 54 S to 72 S latitude

Bromine monoxide was observed in situ at approximately 18 km altitude during nine flights of the NASA ER-2 aircraft from Punta Arenas, Chile (54 altitude) to 72 S latitude over the Palmer Peninsula, Antarctica. The first flight for the BrO detection system was on 28 August. Here, the results from the flights over Antarctica and from the ferry flights from Punta Arenas to Moffett Field, CA (37 N latitude are reported. A key question concerning BrO, then, is how it is distributed with respect to the chemical containment vessel defined by elevated ClO mixing ratios. This question is answered with greatest statistical significance if the data are averaged into five regions: outside the vessel, aircraft heading south; inside the vessel on the same potential temperature surface; in the dive region; inside the vessel on a given potential temperature surface, aircraft heading north; and outside the vessel on the same surface. The result is that the BrO distribution inside the chemical containment vessel was different from that found outside. Inside, the BrO mixing ratio was (5.0 plus or minus 1.1) pptv between the 400 K and 460 K potential temperature surfaces, decreasing only slightly with potential temperature, and was less than 3.6 pptv below the 4 00 K surface. The abundance of BrO inside the chemical containment vessel showed no discernible temporal trend during the course of the nine flights. Outside the vessel, the BrO mixing ratio was (4.7 plus or minus 1.3) pptv near the 450 K surface, but decreased to (2.8 plus or minus 1.0) pptv near the 420 K surface.

Brune, W. H.↗
DOE OSTI2020

Materials Data on Hg3(ClO)2 by Materials Project

Hg3O2Cl2 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.52 Å. There are a spread of Hg–Cl bond distances ranging from 2.77–3.06 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two O2- and four Cl1- atoms. There are one shorter (2.10 Å) and one longer (2.11 Å) Hg–O bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.07–3.30 Å. In the third Hg2+ site, Hg2+ is bonded in a distorted linear geometry to three O2- and three Cl1- atoms. There are a spread of Hg–O bond distances ranging from 2.09–2.88 Å. There are a spread of Hg–Cl bond distances ranging from 3.08–3.27 Å. In the fourth Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Hg–O bond distances ranging from 2.16–2.57 Å. There are a spread of Hg–Cl bond distances ranging from 2.94–3.28 Å. In the fifth Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.83 Å. There are a spread of Hg–Cl bond distances ranging from 3.07–3.30 Å. In the sixth Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two O2- and three Cl1- atoms. There are one shorter (2.16 Å) and one longer (2.62 Å) Hg–O bond lengths. There are a spread of Hg–Cl bond distances ranging from 2.42–3.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. In the second O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. In the third O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of edge and corner-sharing OHg4 tetrahedra. In the fourth O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to six Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As3H9RhC3(ClO)3 by Materials Project

RhC3As3H9(OCl)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RhC3As3H9(OCl)3 clusters. Rh3+ is bonded to three As3- and three Cl1- atoms to form distorted RhAs3Cl3 octahedra that share corners with three CAsH3 tetrahedra. All Rh–As bond lengths are 2.38 Å. There are two shorter (2.41 Å) and one longer (2.42 Å) Rh–Cl bond lengths. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded to one As3- and three H1+ atoms to form distorted CAsH3 tetrahedra that share a cornercorner with one RhAs3Cl3 octahedra. The corner-sharing octahedral tilt angles are 56°. The C–As bond length is 1.93 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the second C2+ site, C2+ is bonded to one As3- and three H1+ atoms to form distorted CAsH3 tetrahedra that share a cornercorner with one RhAs3Cl3 octahedra. The corner-sharing octahedral tilt angles are 57°. The C–As bond length is 1.93 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C2+ site, C2+ is bonded to one As3- and three H1+ atoms to form distorted CAsH3 tetrahedra that share a cornercorner with one RhAs3Cl3 octahedra. The corner-sharing octahedral tilt angles are 56°. The C–As bond length is 1.93 Å. All C–H bond lengths are 1.10 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to one Rh3+, one C2+, and two O2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) As–O bond length. In the second As3- site, As3- is bonded in a 4-coordinate geometry to one Rh3+, one C2+, and two O2- atoms. Both As–O bond lengths are 1.81 Å. In the third As3- site, As3- is bonded in a 4-coordinate geometry to one Rh3+, one C2+, and two O2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) As–O bond length. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3- atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3- atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two As3- atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1985

LIMS data - Inferred stratospheric distribution of NOx and HOx trace constituents and the calculated odd nitrogen budget

LIMS, SAMS, SBUV and in-situ data have been used to infer species not measured but which are of photochemical interest, e.g., O(3P), O(1D), NO, N2O5, OH, HO2, ClO and HCl. (LIMS = limb infrared monitor of the stratosphere; SAMS = stratospheric and mesospheric sounder; and SBUV = solar backscattered ultraviolet instrument.) Production and loss of odd nitrogen have been calculated and estimates have been made of the odd nitrogen transport due to adiabatically driven circulation derived from LIMS data. Data used from LIMS include O3, NO2, HNO3, H2O and T. CH4 and N2O were taken from SAMS and the UV solar flux from the SBUV instrument. Species were inferred for periods in October, December, March and May. Results for December are discussed. Results indicate: (1) maximum stratospheric odd nitrogen levels of 25 ppbv; (2) evidence of odd nitrogen transport from the mesosphere appearing at 25 km in the wintertime polar latitudes; (3) the polar night build-up of high levels of N2O5 beginning after the autumnal equinox; and (4) the possibility of large downward fluxes of odd nitrogen into the troposphere during the winter at latitudes poleward of 60 degrees.

Callis, L. B.↗