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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KAu(Cl2O)2 by Materials Project

KAu(OCl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four Cl atoms. There are a spread of K–O bond distances ranging from 2.75–2.84 Å. There are a spread of K–Cl bond distances ranging from 3.32–3.68 Å. Au is bonded in a rectangular see-saw-like geometry to four Cl atoms. There are a spread of Au–Cl bond distances ranging from 2.31–2.39 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent K and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent K atoms. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one K and one Au atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Au atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to one K and one Au atom. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to one Au and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Cu(Cl2O)2 by Materials Project

K2Cu(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight Cl atoms. There are four shorter (3.28 Å) and four longer (3.29 Å) K–Cl bond lengths. Cu is bonded in a 6-coordinate geometry to two O and four Cl atoms. Both Cu–O bond lengths are 1.75 Å. There are two shorter (2.22 Å) and two longer (2.87 Å) Cu–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cu atom. In the second O site, O is bonded in a single-bond geometry to one Cu atom. In the third O site, O is bonded in a single-bond geometry to one Cu atom. The O–Cu bond length is 1.75 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent K and one Cu atom to form a mixture of distorted corner, edge, and face-sharing ClK4Cu square pyramids. In the second Cl site, Cl is bonded to four equivalent K and one Cu atom to form a mixture of corner, edge, and face-sharing ClK4Cu square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Cu(Cl2O)2 by Materials Project

Rb2Cu(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to eight Cl atoms. There are four shorter (3.41 Å) and four longer (3.42 Å) Rb–Cl bond lengths. Cu is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Cu–O bond lengths are 1.76 Å. There are two shorter (2.22 Å) and two longer (2.91 Å) Cu–Cl bond lengths. O is bonded in a single-bond geometry to one Cu atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Cu atom. In the second Cl site, Cl is bonded to four equivalent Rb and one Cu atom to form a mixture of corner and edge-sharing ClRb4Cu square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(Cl2O)2 by Materials Project

CuCl4O2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cu is bonded in a 8-coordinate geometry to four equivalent O and four equivalent Cl atoms. All Cu–O bond lengths are 2.18 Å. All Cu–Cl bond lengths are 2.64 Å. O is bonded in a distorted square co-planar geometry to two equivalent Cu and two equivalent Cl atoms. Both O–Cl bond lengths are 2.07 Å. Cl is bonded in a 1-coordinate geometry to one Cu, one O, and one Cl atom. The Cl–Cl bond length is 2.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Mn(Cl2O)2 by Materials Project

Rb2Mn(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two equivalent O and eight Cl atoms. There are one shorter (3.18 Å) and one longer (3.55 Å) Rb–O bond lengths. There are a spread of Rb–Cl bond distances ranging from 3.37–3.69 Å. Mn is bonded in a distorted octahedral geometry to two equivalent O and four Cl atoms. Both Mn–O bond lengths are 1.73 Å. All Mn–Cl bond lengths are 2.37 Å. O is bonded in a single-bond geometry to two equivalent Rb and one Mn atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to four equivalent Rb and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtN4(Cl2O)2 by Materials Project

PtCl2(N2)2(ClO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hypochlorous acid molecules, four nitrogen molecules, and two platinum(ii) chloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuN2(Cl2O)2 by Materials Project

CuCl4O2N2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two CuCl4O2 clusters. In each CuCl4O2 cluster, Cu2+ is bonded in a square co-planar geometry to two O2- and two Cl1- atoms. Both Cu–O bond lengths are 1.91 Å. Both Cu–Cl bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Cl1- atom. The O–Cl bond length is 1.61 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Cl1- atom. The O–Cl bond length is 1.61 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuN2(Cl2O)2 by Materials Project

CuN2(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 2.29 Å. O2- is bonded in a distorted single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. There are two shorter (2.13 Å) and two longer (2.46 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two equivalent N3+ and two equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KOsN(Cl2O)2 by Materials Project

KOsN(OCl2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.75–3.08 Å. There are two shorter (3.39 Å) and two longer (3.67 Å) K–Cl bond lengths. Os2+ is bonded in a distorted octahedral geometry to one N5+, one O2-, and four Cl1- atoms. The Os–N bond length is 1.69 Å. The Os–O bond length is 2.01 Å. There are two shorter (2.31 Å) and two longer (2.39 Å) Os–Cl bond lengths. N5+ is bonded in a single-bond geometry to one Os2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and one Os2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Cl1- atoms. Both O–Cl bond lengths are 2.44 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one K1+ and one Os2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+, one Os2+, and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb(Cl2O)3 by Materials Project

(SbCl6)2(O2)3 is Modderite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and four SbCl6 clusters. In each SbCl6 cluster, Sb is bonded in an octahedral geometry to six Cl atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.41 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhC4N(Cl2O)2 by Materials Project

RhO2Cl3C4NCl crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RhO2Cl3 clusters and two C4NCl ribbons oriented in the (1, 0, 0) direction. In each RhO2Cl3 cluster, Rh3+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent O2- and three Cl1- atoms. Both Rh–O bond lengths are 1.74 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Rh–Cl bond lengths. O2- is bonded in a single-bond geometry to one Rh3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted 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 each C4NCl ribbon, there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.62 Å. In the second C2+ site, C2+ is bonded in a distorted bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.63 Å. The C–Cl bond length is 2.05 Å. N3- is bonded in a 4-coordinate geometry to four C2+ atoms. Cl1- is bonded in a linear geometry to two equivalent C2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuN3(Cl2O)2 by Materials Project

RuOCl4N2NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four nitroxyl molecules, and four RuOCl4 clusters. In each RuOCl4 cluster, Ru5+ is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Ru–O bond length is 1.72 Å. There are a spread of Ru–Cl bond distances ranging from 2.32–2.37 Å. O2- is bonded in a single-bond geometry to one Ru5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Cu(Cl2O)2 by Materials Project

K2CuCl4O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one K2CuCl4 framework. In the K2CuCl4 framework, K is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All K–Cl bond lengths are 3.37 Å. Cu is bonded in a square co-planar geometry to four equivalent Cl atoms. All Cu–Cl bond lengths are 2.28 Å. Cl is bonded in a distorted single-bond geometry to four equivalent K and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2Ca(Cl2O)2 by Materials Project

Cs2Ca(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. There are one shorter (3.26 Å) and one longer (3.51 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.45–3.97 Å. Ca is bonded in an octahedral geometry to two equivalent O and four Cl atoms. Both Ca–O bond lengths are 2.32 Å. There are two shorter (2.72 Å) and two longer (2.90 Å) Ca–Cl bond lengths. O is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, one Ca, and one Cl atom. The O–Cl bond length is 1.67 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to three equivalent Cs, one Ca, and one O atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent Cs and one Ca atom.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Kinetics and product studies of the reaction ClO + BrO using flash photolysis-ultraviolet absorption

The reaction between BrO and ClO was studied over the pressure range 50-700 torr and temperature range 220-400 K, using the flash photolysis-ultraviolet absorption method described by Watson et al. (1979). In order to investigate the mechanism of the BrO + ClO reaction, the product branch reactions Br + Cl2O yielding ClO + BrCl and Cl2O + h(nu) yielding products were examined. The rate constant for the overall reaction and the Arrhenius expression for the Br + Cl2O reaction are given, as well as the quantum yield for the production of atomic oxygen from the Cl2O photolysis.

Sander, Stanley P.↗
NASA NTRS1980

Production of OH from photolysis of HOCl at 307-309 nm

Laser-induced fluorescence has been used to measure the amount of OH produced in the laser photolysis of HOCl at 310 nm. The HOCl was generated by the Cl2O + H2O and by the HCl + Cl2O reactions. The laser technique samples OH on a microsecond time scale so that secondary radical reactions cannot contribute significantly to the observed signals. The fluorescence signals were calibrated with O3-H2O mixtures, the reactions O3 + h(nu) yields O(1D) + O2 and O(1D) + H2O yields 2OH yielding known amounts of OH. The value for the absorption cross section of HOCl at 310 nm has been determined to be 6 x 10 to the -20th sq cm, assuming K(eq) = 0.082 for the Cl2O + H2O yields 2HOCl system and assuming unit quantum yield for the production of OH. The present investigation further supports earlier experimental work concluding that HOCl will photodissociate rapidly and will not be an important holding tank for chlorine in the stratosphere. These results are in disagreement with theoretical calculations of the UV absorption spectrum of HOCl in the 300-350-nm wavelength region.

Molina, M. J.↗
DOE OSTI2020

Materials Data on PdN4Cl2O by Materials Project

Pd(N2)2Cl2O crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four nitrogen molecules, two palladium molecules, and one Cl2O framework. In the Cl2O framework, O2- is bonded in a 8-coordinate geometry to four equivalent Cl1- atoms. All O–Cl bond lengths are 3.70 Å. Cl1- is bonded in a 6-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. All Cl–Cl bond lengths are 3.91 Å.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Extinction coefficients of chlorine monoxide and chlorine heptoxide

The ultraviolet and visible extinction coefficients of Cl2O and Cl2O7 were measured from 180 to 800 nm. The results are comparable in shape with literature values, but different in magnitude. The approximate extinction coefficients at the peaks of infrared absorption lines are also given.

Lin, C.-L.↗