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7782-44-7 Usage

General Description

Oxygen is a colorless, odorless, and tasteless gas that is the third-most abundant element in the universe and the most abundant element in the Earth's crust. It is essential for all forms of life, as it is a critical component of the Earth's atmosphere and plays a key role in the respiration of plants, animals, and other living organisms. Oxygen is also used in various industrial processes, such as steel production, chemical synthesis, and wastewater treatment. It is highly reactive and forms compounds with almost all other elements, making it a key component in the composition of many minerals and organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 7782-44-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,7,8 and 2 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 7782-44:
(6*7)+(5*7)+(4*8)+(3*2)+(2*4)+(1*4)=127
127 % 10 = 7
So 7782-44-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1

7782-44-7 Well-known Company Product Price

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  • Aldrich

  • (769053)  Oxygen  Messer® CANGas, 99.999%

  • 7782-44-7

  • 769053-1L

  • 947.70CNY

  • Detail

7782-44-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name dioxygen

1.2 Other means of identification

Product number -
Other names hydroperoxide radical

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7782-44-7 SDS

7782-44-7Synthetic route

(bis(1,10-phenantroline) copper(I))(1+)

(bis(1,10-phenantroline) copper(I))(1+)

A

copper(II) bis(1,10-phenanthroline)

copper(II) bis(1,10-phenanthroline)

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With perchloric acid; oxygen In acetonitrile Kinetics;A 100%
B n/a
carbon disulfide
75-15-0

carbon disulfide

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

oxygen
80937-33-3

oxygen

A

sulfur dioxide
7446-09-5

sulfur dioxide

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gas Kinetics; byproducts: HS; other Radiation; H2O2 is photolysed at 266 nm (Nd:YAG laser) in a flow reactor, addn. of CS2 (NO) and O2 (N2); HO2 yield measurement by LMR (laser magnetic resonance), SO2 yield measurement by CIMS (chemical ionization mass spectometry);A 90%
B 95%
ethene
74-85-1

ethene

carbon monoxide
201230-82-2

carbon monoxide

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With synthetic air; oxygen In gaseous matrix Kinetics; C2H4, CO and synthetic air mixture addn. into O3/O2 flow;66%
ethene
74-85-1

ethene

A

hydroxyl
3352-57-6

hydroxyl

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With synthetic air; oxygen In gaseous matrix Kinetics; byproducts: hydroxyethylperoxy radical; C2H4 (1-3 ml/min) and synthetic air (3 ml/min) mixture addn. into O3/O2 flow;A 20%
B 39%
Conditions
ConditionsYield
In gas Kinetics; between 218 and 298 K, OH source: F + H2O or H + NO2, ClO source: Cl + O3, reaction carried out in a discharge-flow system;A 9%
B n/a
C n/a
D n/a
In gaseous matrix Kinetics; carrier gas: He; hydroxyl radicals were prepared by the reaction between H and NO2; ClO radicals were prepared by the reaction between O3 an Cl; resonance-fluorescence measurements;
ethyl radical
2025-56-1

ethyl radical

oxygen
80937-33-3

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In neat (no solvent) Kinetics; byproducts: C2H4, C2H5O2; Irradiation (UV/VIS); reaction of O2 with C2H5 radicals formed by flash-light photolysis (22 °C, 5-100 Torr total pressure); 99.9% of C2H5 reacted with formation of C2H5O2; rate constant;;0.1%
In neat (no solvent) Kinetics; byproducts: C2H4; reaction of C2H5 radicals with O2 at T<320 °C; mechanism;;
methane
34557-54-5

methane

oxygen
80937-33-3

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gas Kinetics; CH4-O2 reaction at 1100 °C and total pressure of 10 Torr; HO2 decay (1. order);; mass spectroscopy;;
In neat (no solvent) CH4-O2 flames (12 Torr);; mass spectroscopy; assignment to HO2 is doubtful;;
In neat (no solvent) CH4-O2 flames (70 Torr);; mass spectroscopy;;
In neat (no solvent) byproducts: CH3, H2O2; reaction of 5 Torr CH4 with 3 Torr O2 at 1090 °C (reaction period 10E-2 s); collision yield; following reaction;; mass spectroscopy;;0.05%
In neat (no solvent) examination of the CH4-O2 reaction;;
dihydrogen peroxide
7722-84-1

dihydrogen peroxide

oxygen

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
Kinetics; byproducts: OH, H2O, O2; at 298-386 K and 15-150 Torr;
In neat (no solvent) Kinetics; byproducts: OH, H2O, O2; gaseous H2O2 was mixed with O+O2; rate constant;;
In neat (no solvent)
hydroxyl
3352-57-6

hydroxyl

A

oxygen
80937-33-3

oxygen

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gaseous matrix Kinetics; reaction of OH (produced on reaction of H + NO2 -> OH + NO) and O3 (He carrier gas, 1.5 - 4 Torr, 300 K - 423 K);
hydroxyl
3352-57-6

hydroxyl

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With water; acetic acid In water Kinetics; byproducts: O2; Irradiation (UV/VIS);
In neat (no solvent) Kinetics; byproducts: O2; OH radicals formed from H+NO2 reacted with O3; rate constant;; UV absorption measurements;;
hydroxyl
3352-57-6

hydroxyl

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

A

water
7732-18-5

water

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With nitrogen In gas Kinetics; kinetic of react. of OH radical with H2O2 studied over temp. range 96-296 K; H2O2/N2 gas expanded through Laval nozzle; laser-induced fluorescence of OH radical used as probe;
In gas Kinetics; kinetics studied at 250-1250 K by means of UV spectroscopy;
In gaseous matrix Kinetics; 245-423 K; total pressure=45-500 torr; in He stream, in contact with quarz, Pyrex or Teflon only; not sepd.;
hydrogen

hydrogen

A

hydroxyl
3352-57-6

hydroxyl

B

oxygen
80937-33-3

oxygen

C

oxygen

oxygen

D

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gas fast-flow discharge system (according to: T. E. Kleindienst, B. J. Finlayson-Pitts, J. Chem. Phys. Lett. 61 (1979) 300), halocarbon wax or boric acid coated flow tube, H or O3 excess; resonance fluorescence technique, titration of H;
hydrogen

hydrogen

A

oxygen

oxygen

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gaseous matrix Kinetics; other Radiation; laser photolysis (mixt. of O3 with He (1:1E+4), KrF excimer laser); detection by time-resolved atomic absorption spectroscopy;
fast-flow discharge system (room temp., excess of O3, bychoise addn. ofCO or NO);
dihydrogen peroxide
7722-84-1

dihydrogen peroxide

A

hydroxyl
3352-57-6

hydroxyl

B

oxygen
80937-33-3

oxygen

C

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In water Kinetics;
water
7732-18-5

water

A

hydroxyl
3352-57-6

hydroxyl

B

hydrogen
1333-74-0

hydrogen

C

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

D

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
Kinetics; other Radiation; effect of radiation type and scavanger concn. in water radiolysis;
hydrogen sulfide
7783-06-4

hydrogen sulfide

water
7732-18-5

water

oxygen
80937-33-3

oxygen

A

sulfur dioxide hydrate
19936-25-5

sulfur dioxide hydrate

B

SO3 * water
95690-30-5

SO3 * water

C

sulfuric acid
7664-93-9

sulfuric acid

D

sulfur dioxide
7446-09-5

sulfur dioxide

E

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In solid matrix Irradiation (UV/VIS); further products; 270-420 nm photolysis in O2-matrix at 13 K (4-14 h); product ratio depending on matrix composition; not isolated, detected by IR;
water
7732-18-5

water

oxygen
80937-33-3

oxygen

A

hydrogen peroxide water
155306-81-3

hydrogen peroxide water

B

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

C

ozone
10028-15-6

ozone

D

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In solid matrix Irradiation (UV/VIS); photolysis at 13 K for 1.8 h (λ > 220 nm); not isolated, detected by IR;
hydrogen cyanide
74-90-8

hydrogen cyanide

oxygen

oxygen

A

isocyanic acid
75-13-8

isocyanic acid

B

O3HCN

O3HCN

C

carbon nitride
2074-87-5

carbon nitride

D

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
Ar/HCN is codeposited with O atoms (produced by microwave discharge of Ar/O2)on cold CsI window; IR matrix isolation study;
silver (I) ion
14701-21-4

silver (I) ion

hydroperoxide anion
14691-59-9

hydroperoxide anion

A

silver
7440-22-4

silver

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In water mechanism of H2O2-decomposition discussed;;
In water mechanism of H2O2-decomposition discussed;;
dihydrogen peroxide
7722-84-1

dihydrogen peroxide

carbonate radical anion
16518-46-0

carbonate radical anion

A

hydrogen carbonate
71-52-3

hydrogen carbonate

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In water pH=6.3, 24°C;
hydrogen

hydrogen

A

hydroxyl
3352-57-6

hydroxyl

B

oxygen

oxygen

C

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With oxygen In gas Kinetics; Flash photolysis-shock tube react.of O2/Ar-mixt. with H (produced by photodissociation of NH3 or H2O).; Rate consts. between 746 and 1705 K at various pressures given.;
hydrogen

hydrogen

hydrogen
1333-74-0

hydrogen

oxygen
80937-33-3

oxygen

A

hydroxyl
3352-57-6

hydroxyl

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gas Kinetics; under Ar, mixed, reacted at 293 K (P=1 kPa); ESR, gas chromy.;
hydrogen

hydrogen

oxygen
80937-33-3

oxygen

A

hydroxyl
3352-57-6

hydroxyl

B

oxygen

oxygen

C

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gas Kinetics; rate coefficients measured via OH absorption behind reflected shock waves at 950-3100 K; H2/O2/Ar mixtures prepared manometrically and allowed to stand for at least 48 h;
hydrogen

hydrogen

oxygen
80937-33-3

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In gaseous matrix Kinetics; H and O2 reacted in excess of Ar in fast flow-discharge tube at 2-10 Torr and at 231-512 K; detected by mass spectrometry and GC chromy;
With He or N2 or H2O In gas Kinetics; other Radiation; reacting H atoms with O2 in the presence of He, N2 or H2O (microwave discharge, pressure 0.25 - 1 Torr);
With nitrogen In gas Kinetics;
oxygen
80937-33-3

oxygen

sodium hydroxide
1310-73-2

sodium hydroxide

A

sodium monoxide

sodium monoxide

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
Kinetics; in O2/H2 flame; fluorescence spectroscopy;
sulfuric acid
7664-93-9

sulfuric acid

oxygen
80937-33-3

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
With isopropyl alcohol; 12-tungstoferric acid In water Kinetics; Irradiation (UV/VIS); soln. contg. heteropolytungstate ion (2E-6 M) and i-PrOH (1.7 M) subjected to 10E-6 s photoflash in presence of O2 (2E-4 M) at pH 1.0 (0.05 M H2SO4);
With isopropyl alcohol; sodium phosphotungstate In water Kinetics; Irradiation (UV/VIS); soln. contg. heteropolytungstate ion (2E-6 M) and i-PrOH (1.7 M) subjected to 10E-6 s photoflash in presence of O2 (2E-4 M) at pH 1.0 (0.05 M H2SO4);
With isopropyl alcohol; sodium metatungstate In water Kinetics; Irradiation (UV/VIS); soln. contg. polytungstate ion (2E-6 M) and i-PrOH (1.7 M) subjected to10E-6 s photoflash in presence of O2 (2E-4 M) at pH 1.0 (0.05 M H2SO4);
With isopropyl alcohol; 12-tungstosilicic acid, K-salt In water Kinetics; Irradiation (UV/VIS); soln. contg. heteropolytungstate ion (2E-6 M) and i-PrOH (1.7 M) subjected to 10E-6 s photoflash in presence of O2 (2E-4 M) at pH 1.0 (0.05 M H2SO4);
formyl radical
2597-44-6

formyl radical

oxygen
80937-33-3

oxygen

A

carbon monoxide
201230-82-2

carbon monoxide

B

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

hydrogen sulfide
7783-06-4

hydrogen sulfide

oxygen
80937-33-3

oxygen

A

sulfuric acid
7664-93-9

sulfuric acid

B

sulfur dioxide
7446-09-5

sulfur dioxide

C

sulfur trioxide
7446-11-9

sulfur trioxide

D

ozone
10028-15-6

ozone

E

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
byproducts: H2O*SO2, H2O*SO3; Irradiation (UV/VIS); in solid O2, 15K; H2O*SO2 and H2O*SO3 present in significant amounts; detected by IR;
hydrogen sulfide
7783-06-4

hydrogen sulfide

oxygen
80937-33-3

oxygen

A

sulfur dioxide hydrate
19936-25-5

sulfur dioxide hydrate

B

SO3 * water
95690-30-5

SO3 * water

C

sulfuric acid
7664-93-9

sulfuric acid

D

sulfur dioxide
7446-09-5

sulfur dioxide

E

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

Conditions
ConditionsYield
In solid matrix Irradiation (UV/VIS); further products; 270-420 nm photolysis in O2-matrix at 13 K (4-14 h); product ratio depending on matrix:solute ratio (200-8000); not isolated, detected by IR;
Conditions
ConditionsYield
In gaseous matrix Kinetics; Cl concn. 3E11 - 3E12 molecule/cm3, HO2 concn. 1E10 - 5E11 molecule/cm3,236 K, 1 Torr of He;A 94.5%
B n/a
In gaseous matrix Kinetics; Cl concn. 3E11 - 3E12 molecule/cm3, HO2 concn. 1E10 - 5E11 molecule/cm3,256 K, 1 Torr of He;A 79.4%
B n/a
In gaseous matrix Kinetics; Cl concn. 3E11 - 3E12 molecule/cm3, HO2 concn. 1E10 - 5E11 molecule/cm3,276 K, 1 Torr of He;A 74.8%
B n/a
In gaseous matrix Kinetics; Cl concn. 3E11 - 3E12 molecule/cm3, HO2 concn. 1E10 - 5E11 molecule/cm3,296 K, 1 Torr of He;A 70.4%
B n/a
Conditions
ConditionsYield
In gaseous matrix Kinetics; Cl concn. 2E10 - 5E10 molecule/cm3, HO2 concn. 4E11 - 4E12 molecule/cm3,336 K, 1 Torr of He;A 26%
B n/a
In gaseous matrix Kinetics; Cl concn. 2E10 - 5E10 molecule/cm3, HO2 concn. 4E11 - 4E12 molecule/cm3,316 K, 1 Torr of He;A 23.6%
B n/a
In gaseous matrix Kinetics; Cl concn. 2E10 - 5E10 molecule/cm3, HO2 concn. 4E11 - 4E12 molecule/cm3,296 K, 1 Torr of He;A 18.6%
B n/a
hydroxyl
3352-57-6

hydroxyl

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

water
7732-18-5

water

Conditions
ConditionsYield
Kinetics; byproducts: O2; rate constant;;
In sulfuric acid Kinetics; byproducts: O2; other Radiation; decrease of HO2 which was formed by pulsed or continuous electron radiation of H2O2-O2-H2SO4 soln.; rate constant;;
In gaseous matrix Kinetics; byproducts: O2; 298 K, He or Ar present at total pressures 75 - 730 torr;
hydroperoxyl radical
7782-44-7

hydroperoxyl radical

A

hydroxyl
3352-57-6

hydroxyl

B

oxygen
80937-33-3

oxygen

Conditions
ConditionsYield
In gaseous matrix Kinetics; reaction of O2H (produced on reaction of H + O2 + M -> HO2 + M) and O3 (He carrier gas, 1.5 - 4 Torr, 245 K - 365 K);
In gas Kinetics; discharge-flow system at room temp.;;
In gas Kinetics; rate constant determined in the temp. range 233-400 K;
sulfur dioxide
7446-09-5

sulfur dioxide

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

sulfur trioxide
7446-11-9

sulfur trioxide

Conditions
ConditionsYield
byproducts: OH;
chromium(VI) oxide

chromium(VI) oxide

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

CrO3*HO2=HCrO5

CrO3*HO2=HCrO5

Conditions
ConditionsYield
In water
sodium
7440-23-5

sodium

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

A

sodium monoxide

sodium monoxide

B

hydroxyl
3352-57-6

hydroxyl

Conditions
ConditionsYield
Kinetics; in O2/H2 flame; fluorescence spectroscopy;
sodium
7440-23-5

sodium

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

A

oxygen

oxygen

B

sodium hydroxide
1310-73-2

sodium hydroxide

Conditions
ConditionsYield
Kinetics; in O2/H2 flame; fluorescence spectroscopy;
sodium
7440-23-5

sodium

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

A

sodium superoxide

sodium superoxide

B

hydrogen

hydrogen

Conditions
ConditionsYield
Kinetics; in O2/H2 flame; fluorescence spectroscopy;
oxygen

oxygen

hydroperoxyl radical
7782-44-7

hydroperoxyl radical

hydroxyl
3352-57-6

hydroxyl

Conditions
ConditionsYield
In gaseous matrix Kinetics; byproducts: O2; react. of atomic oxygen and HO2 radicals at 2 Torr, 299 K in a He flow; not isolated, detected by resonance fluorescence technique;
In gaseous matrix Kinetics; byproducts: O2; educts were produced by laser pulsed photolysis of O3 and H2O2 in N2 or Ar at 10-500 Torr; detection by time-resolved fluorescence;
In neat (no solvent) Kinetics; byproducts: O2; rate constant;;

7782-44-7Relevant articles and documents

Measurements of the absorption line strength of hydroperoxyl radical in the ν3 band using a continuous wave quantum cascade laser

Sakamoto, Yosuke,Tonokura, Kenichi

, p. 215 - 222 (2012)

Mid-infrared absorption spectroscopy has been applied to the detection of the hydroperoxyl (HO2) radical in pulsed laser photolysis combined with a laser absorption kinetics reactor. Transitions of the ν3 vibrational band assigned to the O-O stretch mode were probed with a thermoelectrically cooled, continuous wave mid-infrared distributed feedback quantum cascade laser (QCL). The HO2 radicals were generated with the photolysis of Cl2/CH3OH/O2 mixtures at 355 nm. The absorption cross section at each pressure was determined by three methods at 1065.203 cm-1 for the F1, 131,13 ← 141,14 transition in the ν3 band. From these values, the absolute absorption cross section at zero pressure was estimated. The relative line strengths of other absorptions in the feasible emitting frequency range of the QCL from 1061.17 to 1065.28 cm-1 were also measured, and agreed with values reproduced from the HITRAN database. The ν3 band absorption strength was estimated from the analytically obtained absolute absorption cross section and the calculated relative intensity by spectrum simulation, to be 21.4 ± 4.2 km mol-1, which shows an agreement with results of quantum chemical calculations.

Investigation of the radical product channel of the CH3OCH 2O2 + HO2 Reaction in the Gas Phase

Jenkin,Hurley,Wallington

, p. 408 - 416 (2010)

The reaction of CH3OCH2O2 with HO 2 has been investigated at 296 K and 700 Torr using long path FTIR spectroscopy, during photolysis of Cl2/CH3OCH 3/CH3OH/air mixtures. The branching ratio for the reaction channel forming CH3OCH2O, OH, and O2 has been determined from experiments in which OH radicals were scavenged by addition of benzene to the system, with subsequent formation of phenol used as the primary diagnostic for OH radical formation. The dependence of the phenol yield on the initial peroxy radical precursor reagent concentration ratio, [CH 3OH]0/[CH3OCH3]0, is consistent with prompt OH formation resulting mainly from the reaction of CH3OCH2O2 with HO2, such that the inferred prompt yield of OH is well-correlated with that of CH 3OCH2OOH, a well-established product of the CH 3OCH2O2 + HO2 reaction. The system was fully characterized by simulation, using a detailed chemical mechanism which included other established sources of OH in the system. This allowed a branching ratio of k2c/k2 = 0.19 ± 0.08 to be determined. The results therefore provide strong indirect evidence for the participation of the radical-forming channel of the title reaction.

Prompt HO2 formation following the reaction of OH with aromatic compounds under atmospheric conditions

Nehr, Sascha,Bohn, Birger,Wahner, Andreas

, p. 6015 - 6026 (2012)

The secondary formation of HO2 radicals following OH + aromatic hydrocarbon reactions in synthetic air under normal pressure and temperature was investigated in the absence of NO after pulsed production of OH radicals. OH and HOx (=OH + HO2) decay curves were recorded using laser-induced fluorescence after gas-expansion. The prompt HO2 yields (HO2 formed without preceding NO reactions) were determined by comparison to results obtained with CO as a reference compound. This approach was recently introduced and applied to the OH + benzene reaction and was extended here for a number of monocyclic aromatic hydrocarbons. The measured HO2 formation yields are as follows: toluene, 0.42 ± 0.11; ethylbenzene, 0.53 ± 0.10; o-xylene, 0.41 ± 0.08; m-xylene, 0.27 ± 0.06; p-xylene, 0.40 ± 0.09; 1,2,3-trimethylbenzene, 0.31 ± 0.06; 1,2,4-trimethylbenzene, 0.37 ± 0.09; 1,3,5- trimethylbenzene, 0.29 ± 0.08; hexamethylbenzene, 0.32 ± 0.08; phenol, 0.89 ± 0.29; o-cresol, 0.87 ± 0.29; 2,5-dimethylphenol, 0.72 ± 0.12; 2,4,6-trimethylphenol, 0.45 ± 0.13. For the alkylbenzenes HO2 is the proposed coproduct of phenols, epoxides, and possibly oxepins formed in secondary reactions with O2. In most product studies the only quantified coproducts were phenols whereas only a few studies reported yields of epoxides. Oxepins have not been observed so far. Together with the yields of phenols from other studies, the HO2 yields determined in this work set an upper limit to the combined yields of epoxides and oxepins that was found to be significant (≥0.3) for all investigated alkylbenzenes except m-xylene. For the hydroxybenzenes the currently proposed HO2 coproducts are dihydroxybenzenes. For phenol and o-cresol the determined HO2 yields are matching the previously reported dihydroxybenzene yields, indicating that these are the only HO 2 forming reaction channels. For 2,5-dimethylphenol and 2,4,6-trimethylphenol no complementary product studies are available.

Production of H2O radical in the Track of High-Energy Carbon Ions

La Verne, Jay A.,Schuler, Robert H.

, p. 4171 - 4173 (1985)

The radiation chemical yields of H2O radical produced by irradiating water with 12C ions of 37-100-MeV initial energy have been determined. these data have been combined with previous values for lower energy carbon and helium ions to obtain the differential yields over the range 2-102 eV/Angstroem.The close similarly between the yields for helium and carbon ions of the same LET suggests that the reaction volume of interest extrends somewhat beyond the track core, especially for helium.LET appears to be a useful parameter to describe the production of H2O radicals in the tracks of heavy particles.

Mechanistic Investigation of the HO+HO2 Reaction

Kurylo, Michael J.,Klais, Odo,Laufer, Allan H.

, p. 3674 - 3678 (1981)

A steady-state photolysis experiment including mass-spectrometric end-product analysis was used to conduct a mechanistic investigation of the H(18)O+HO2 reaction system.The results obtained do not support the existence of a linear adduct reaction intermediate as suggested by a proposed pressure dependennce for the title reaction: HO+HO2->H2O+O2 (k1).An elaborate modeling analysis of the experiment best matches the observed product yields for values of k1 in the range 1*10-10-2*10-10 cm3 molecule-1 s-1.

Posey, Jessica,Sherwell, John,Kaufman, Myron

, p. 476 - 479 (1981)

Milligan, D. E.,Jacox, M. E.

, p. 2627 - 2631 (1963)

Reaction of O2 with the hydrogen atom in water up to 350 °C

Janik, Ireneusz,Bartels, David M.,Marin, Timothy W.,Jonah, Charles D.

, p. 79 - 88 (2007)

The reaction of the H atom with O2, giving the hydroperoxyl HO2 radical, has been investigated in pressurized water up to 350 °C using pulse radiolysis and deep-UV transient absorption spectroscopy. The reaction rate behavior is highly non-Arrhenius, with near diffusion-limited behavior at room temperature, increasing to a near constant limiting value of ~5 × 1010 M-1 s -1 above 250 °C. The high-temperature rate constant is in near-perfect agreement with experimental extrapolations and ab initio calculations of the gas-phase high-pressure limiting rate. As part of the study, reaction of the OH radical with H2 has been reevaluated at 350 °C, giving a rate constant of (6.0 ± 0.5) × 108 M-1 s-1. The mechanism of the H atom reaction with the HO2 radical is also investigated and discussed.

Time-resolved Study of Hydrogen Atoms in the H2-O2 System under Conditions close to Criticality

Hanning-Lee, Mark A.,Pilling, Michael J.,Warr, Jonathan F.

, p. 2907 - 2912 (1991)

A time-resolved study has been performed at conditions close to criticality in the H2-O2 system.Reaction was initiatd by the exciplex laser flash photolysis of O2 at 193.3 nm.H was monitored using time-resolved resonance fluorescence and showed an approximately biexponential time dependence.Near the explosion limit, the long-time behaviour is dominated by the competition between the branching and terminating H + O2 channels.Rate coefficients for these channels were inferred from this time dependence over the ranges 800 T/K 850 and 100 P/Torr 243.

Superoxide: Base, Nucleophile, Radical, or Electron Transfer Reagent?

Purrington, Suzanne T.,Kenion, Grant B.

, p. 731 - 732 (1982)

In contrast with the reaction in dimethylformamide, dichlorocarbene is formed from the superoxide ion and chloroform in benzene.

Hoare, D. E.,Walsh, A. D.

, p. 1102 - 1110 (1957)

Jen, C. K.,Foner, S. N.,Cochran, E. L.,Bowers, V. A.

, p. 1169 - 1182 (1958)

Laser photolysis of O3/H2 mixtures: The yield of the H + O3 -> HO2 + O reaction

Force, A.P.,Wiesenfeld, J.R.

, p. 1718 - 1723 (1981)

The collisional deactivation of O(21D2) by H2 and D2 was found to proceed with a rate constant 1.0 +/- 0.1 * 10-10 cm3 molecule-1 sec-1.The hydrogen atoms produced by O(21D2) + H2 -> OH + H were observed to react with the O3 source molecule with the rate coefficient 3*10-11 cm3 molecule-1 sec-1.Oxygen atoms were seen to be formed with a similar rate and approximately 40percent of the reactive encounters of H with O3, were estimated to result in the production of oxygen atoms instead of the expected OH and O2.Possible mechanisms involving collisionally induced dissociation of O3 by vibrationally excited hydroxyl radicals do not appear to account for the observed oxygen atom kinetics in this system, thus suggesting that H + O3 -> HO2 + O may indeed be a significant pathway in the reaction of hydrogen atoms with ozone.

Zabel, F.,Sahetchian, K. A.,Chachaty, C.

, p. 433 - 437 (1987)

Properties of chemically generated π-radical cations and molecules of (meso-phenyl-β-octaethylporphyrinato)rhenium(V) with axial molecular oxygen

Bichan,Tyulyaeva,Lomova

, p. 1445 - 1453 (2014)

The state of existence and reactions of stable rhenium(V) complexes with β-octaethylporphin (O=Re(OPh)OEP, O=Re(Cl)OEP) and its meso-diphenyl-substituted derivatives (O=Re(Cl)5,15DPOEP) in concentrated H2SO4 at 318-348 K were studied. It was found that O=Re(Cl)5,15DPOEP undergoes slow single-electron oxidation at the aromatic ligand to give π-radical cation. The oxidation is accompanied by replacement of the axial Cl- ligand by the hydrogen sulfate ion present in excess. Full kinetic description of the intricate oxidation reaction of the complex involving atmospheric oxygen was obtained and parameters of simple reactions that constitute the intricate process were determined. In the case of O=Re(Cl)OEP and O=Re(OPh)OEP, the reaction stops after the formation of the cationic complex with axially coordinated oxygen and outer-sphere chloride ion O=Re(O2)OEP+ Cl-. The effect of the nature of axial and macrocyclic ligands in rhenium(V) porphyrins on the processes in sulfuric acid solutions of these compounds was established.

Kinetics of the reaction of HO2 with ozone

Zahniser, Mark S.,Howard, Carleton J.

, p. 1620 - 1626 (1980)

Rate constants were measured for the reaction HO2 + O3 -> OH + 202(k1) using a discharge-flow system with laser magnetic resonance detection of both HO2 and OH. k1 was determined directly from the first order decay of HO2 in excess O3 when C2F3Cl was added to scavenge the OH product and prevent interference from the faster reaction OH + O3 -> HO2 + O2(k2).The ratio k2/k1 was independently determined from the steady-state / ratio obtained without C2F3Cl.Results from the scavenger method are given by k1 = (1.4+/-0.4)x10-14 exp cm3s-1 for 245 K a directly measured value of k2 = (6.5 +/- 1.0)x10-14 cm3s-1 at 300 K.These measurements are compared with other studies and some implications for stratospheric ozone chemistry are discussed.

ESR study of the thermal decomposition of di-tert-butoxy-tert-butyl alumotrioxide formed in the reaction of tri-tert-butoxyaluminum with tert-butyl hydroperoxide

Stepovik, L. P.,Martinova, I. M.,Dodonov, V. A.,Cherkasov, V. K.

, (2002)

Tri-tert-butoxyaluminum reacts with tert-butyl hydroperoxide to produce di-tert-butoxy-tert-butyl alumotrioxide, which decomposes heterolytically to form singlet dioxygen and homolytically with the O-O bond cleavage. The ButOO , (But

Smith, R. C.,Wyard, S. J.

, p. 897 - 898 (1961)

Stoichiometry and Rate of Reaction of Hydrogen Atoms with Oxygen

Pratt, Graham L.,Wood, Stephen W.

, p. 2597 - 2604 (1983)

The reaction of hydrogen atoms (1E-6-1E-5mol dm-3) with oxygen (0-1E-5mol dm-3) in excess argon has been studied in a fast flow-discharge tube at total pressures from 2 to 10 Torr and temperatures from 231 to 512 K using mass spectrometry and gas chromatography for final-product analysis.A method of measuring small concentrations of water (ca. 1E-7mol dm-3) has been developed which enabled the relative rates of reactions (2) and (3) to be determined, reaction (4) being negligible:+Ar->HO2+Ar (1); H+HO2->(2); H+HO2->2OH (3); H+HO2->H2O+O.Over the range 231(errors throughout are standard deviations.An improved Arrhenius expression for reaction (1) has been determined: .Previous evaluations of rate data for step (3) are discussed and revised values suggested:.

Measurements and modeling of HO2 formation in the reactions of n-C3H7 and i-C3H7 radicals with O2

Estupinì?aì?n, Edgar G.,Klippenstein, Stephen J.,Taatjes, Craig A.

, p. 8374 - 8387 (2005)

The formation of HO2 in the reactions of C2H 5, n-C3H7, and i-C3H7 radicals with O2 is investigated using the technique of laser photolysis/long-path frequency-modulation spectroscopy. The alkyl radicals are formed by 266 nm photolysis of alkyl iodides. The formation of HO2 from the subsequent reaction of the alkyl radicals with O2 is followed by infrared frequency-modulation spectroscopy. The concentration of I atoms is simultaneously monitored by direct absorption of a second laser probe on the spin-orbit transition. The measured profiles are compared to a kinetic model taken from time-resolved master-equation results based on previously published ab initio characterizations of the relevant stationary points on the potential-energy surface. The ab initio energies are adjusted to produce agreement with the present experimental data and with available literature studies. The isomer specificity of the present results enables refinement of the model for i-C3H7 + O2 and improved agreement with experimental measurements of HO2 production in propane oxidation. ? 2005 American Chemical Society.

Rate Constant and Possible Pressure Dependence of the Reaction OH+HO2

DeMore, W. B.

, p. 121 - 126 (1982)

The technique of laser-induced fluorescence has been used to measure steady-state OH concentrations in the photolysis of water vapor at 184.9 nm and 298 K, with O2 added in trace amounts.He or Ar was present at total pressures in the range 75-730 torr.The results were used to derive the rate-constant ratio k1/k51/2, where k1 and k5 are the rate constants for the reactions OH+HO2->H2O+O2 and HO2+HO2->O2, respectively.When currently available values for k5 are used, the results give k1=(1.2+/-0.4)x10-10 cm3s-1 at 1-atm pressure, with evidence of a decline of k1 at lower pressures.No water-vapor effect on k1 was observed.

Kinetics of O(3PJ) Reactions with H2O2 and O3

Wine, P. H.,Nicovich, J. M.,Thompson, R. J.,Ravishankara, A. R.

, p. 3948 - 3954 (1983)

The kinetics of the reactions O(3PJ) + H2O2 -> products (k1) and O(3PJ) + O3 -> 2O2 (k2) have been investigated as a function of temperature over the temperature ranges 298-386 and 237-377 K, respectively.O(3PJ) was produced in the absence of other reactive free radicals by 532-nm pulsed laser photolysis of O3 and detected by time-resolved resonance fluorescence spectroscopy.The following Arrhenius expressions adequately describe the experimental results: k1=(1.13 +/- 0.54)*10-12 exp and k2=(5.6 +/- 2.1)*10-12 exp (units are cm3 molecule-1 s-1, errors are 2?).

Role of interstitial voids in oxides on formation and stabilization of reactive radicals: Interstitial HO2 radicals in F2-laser- irradiated amorphous SiO2

Kajihara, Koichi,Hirano, Masahiro,Skuja, Linards,Hosono, Hideo

, p. 5371 - 5374 (2006)

A procedure to produce stable hydroperoxy radicals (HO2 .) in bulk amorphous SiO2 (a-SiO2) has been developed. Oxygen molecules incorporated in the interstitial voids in a-SiO 2 react with mobile hydrogen atoms (H0) generated by the photolysis of silanol (SiOH) groups with F2-laser light (λ = 157 nm, hν = 7.9 eV), resulting in the efficient creation of interstitial HO2.. The high yield of HO2. suggests that the collisions of the reaction intermediate with the void wall play an important role in dissipating the excess energy of the intermediate instead of the triple collision observed in the gas phase reaction. The resultant HO2. is thermally stable up to 100 °C.

Rate Constants for the Reaction HO2 + NO2 + N2 -> HO2NO2 + N2: The Temperature Dependence of the Falloff Parameters

Kurylo, Michael J.,Ouellette, Philip A.

, p. 3365 - 3368 (1987)

Rate constants for the title reaction were measured by flash photolysis ultraviolet absorption spectroscopy at N2 pressures of 25, 50, and 100 Torr over the temperature range 228-358 K.The data were fit to an expression suitable for describing the pressure dependence of reactions in the falloff region with the temperature dependence of the falloff parameters given by k0,N2(T) = k0,N2(300K)-n and kinfinite(T) = kinfinite(300K)-m.The inert gas pressures in this study were low enough to permit a precise determination of n (which describes the temperature dependence of the low-pressure, limiting third-order rate constant).The same rate constant data, however, were less sensitive to the determination of m (associated with the limiting high-pressure rate constant).For this reason, our final analysis utilizes a composite fit of our temperature dependent data along with similar data at 100 and 700 Torr of N2 obtained by Sander and Peterson to yield k0,N2(T) = 1.8 * 10-31-(3.2+/-0.4) cm6 molecule-2 s-1 and kinfinite(T) = 4.7 * 10-12-(1.4+/-1.0) cm3 molecule-1 s-1.

Rate Constants for H +O2 + M at 298 K for M = He, N2, and H2O

Hsu, K.-J.,Durant, J. L.,Kaufman, F.

, p. 1895 - 1899 (1987)

The rate constants of the three-body recombination reaction H + O2 + M (M = He, N2, H2O) were measured from 4.79 to 30.1 Torr at room temperature by the discharge-flow technique.The respective rate constants obtained are (2.6 +/- 0.2)E-32, (6.1 +/- 0.9)E-32, and (6.4 +/- 0.8)E-31 cm6s-1.Although the rates for He and N2 can be rationalized in terms of existing theory, that for H2O implies a collision efficiency greater than 1.This situation can be rectified by use of the total quantum mechanical scattering cross section instead of the Lennard-Jones cross section commonly used.

Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type i and Type II Photodynamic Therapy

Luo, Taokun,Ni, Kaiyuan,Culbert, August,Lan, Guangxu,Li, Zhe,Jiang, Xiaomin,Kaufmann, Michael,Lin, Wenbin

supporting information, p. 7334 - 7339 (2020/08/21)

Herein we report the design of a bacteriochlorin-based nanoscale metal-organic framework, Zr-TBB, for highly effective photodynamic therapy via both type I and type II mechanisms. The framework of Zr-TBB stabilizes 5,10,15,20-tetra(p-benzoato)bacteriochlorin (TBB) ligands toward oxygen and light via geometrical constraint. Upon 740 nm light irradiation, Zr-TBB efficiently generates various reactive oxygen species, including singlet oxygen, superoxide anion, hydrogen peroxide, and hydroxyl radicals, to afford superb antitumor efficacy on mouse models of breast and colon cancers, with cure rates of 40% and 60%, respectively.

Precursor-mediated synthesis of Cu2-xSe nanoparticles and their composites with TiO2 for improved photocatalysis

Gahlot, Sweta,Jeanneau, Erwann,Dappozze, Frederic,Guillard, Chantal,Mishra, Shashank

supporting information, p. 8897 - 8905 (2018/07/25)

The direct synthesis of copper selenide nanoparticles from the reaction of ditertiarybutyl selenide tBu2Se with copper(ii) trifluoroacetate Cu(TFA)2 under mild conditions is reported. The isolation of a molecular species d

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