Photochemical studies of hydrogen peroxide in solid rare gases:: Formation of the HOH•••O(3P) complex

被引：57

作者：

Pehkonen, S ^{[1
]}

Pettersson, M ^{[1
]}

Lundell, J ^{[1
]}

Khriachtchev, L ^{[1
]}

Räsänen, M ^{[1
]}

机构：

[1] Univ Helsinki, Phys Chem Lab, FIN-00014 Helsinki, Finland

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 39期

关键词：

D O I：

10.1021/jp982111e

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

UV photolysis of H2O2 in solid Ar, Kr, and Xe yields isolated OH radicals and a complex between a water molecule and a ground-state (P-3) oxygen atom. The vibrational bands of the HOH ... O complex are observed at 3730.1 and 3633.0 cm(-1) in Ar, at 3718.6 and 3622.4 cm(-1) in Kr, and at 3704.3 and 3607.3 cm(-1) in Xe matrices. The assignment is based on isotopic substitution, selective photoinduced processes between H2O2 and HOH ... O, and ab initio calculations. In Kr and Xe matrices, the complex is formed with much less efficiency when compared with Ar matrices, indicating the existence of other photolysis channels. Computational results on the complex geometry and vibrational frequencies are presented and compared with experimental data.

引用

页码：7643 / 7648

页数：6

共 50 条

[1]

[Anonymous], 1941, J. Am. Chem. Soc, DOI [10.1021/ja01851a007, DOI 10.1021/JA01851A007]

[2]

AQUISTA N, 1968, J CHEM PHYS, V48, P1534

[3] IR-SPECTRA OF MATRIX-ISOLATED WATER SPECIES .2. CHARACTERIZATION OF NON-ROTATING MONOMER WATER SPECIES IN AN ARGON MATRIX BY XENON DOPING - MATRIX-ISOLATED SPECTRA OF H2O.HCL AND (CH3)2O.H2O AS MODEL COMPOUNDS FOR WATER DIMER SPECTRA [J].

AYERS, GP ;

PULLIN, ADE .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1976, 32 (10) :1641-1650

[4] IR-SPECTRA OF MATRIX-ISOLATED WATER SPECIES .1. ASSIGNMENT OF BANDS TO (H2O)2, (D2O)2 AND HDO DIMER SPECIES IN ARGON MATRICES [J].

AYERS, GP ;

PULLIN, ADE .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1976, 32 (10) :1629-1639

[5] IR-SPECTRA OF MATRIX-ISOLATED WATER SPECIES .4. CONFIGURATION OF WATER DIMER IN ARGON MATRICES [J].

AYERS, GP ;

PULLIN, ADE .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1976, 32 (11) :1695-1704

[6] REASSIGNMENT OF VIBRATIONAL-SPECTRA OF MATRIX-ISOLATED H2O AND HDO [J].

AYERS, GP ;

PULLIN, ADE .

CHEMICAL PHYSICS LETTERS, 1974, 29 (04) :609-615

[7] STUDIES OF INTERMOLECULAR INTERACTIONS BY MATRIX-ISOLATION VIBRATIONAL SPECTROSCOPY - SELF-ASSOCIATION OF WATER [J].

BENTWOOD, RM ;

BARNES, AJ ;

ORVILLETHOMAS, WJ .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 84 (02) :391-404

[8] PHOTODISSOCIATION DYNAMICS AND POTENTIAL SURFACES OF HYDROGEN-PEROXIDE [J].

BERSOHN, R ;

SHAPIRO, M .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (03) :1396-1402

[9] Rate constants of HO2+NO covering atmospheric conditions .1. HO2 formed by OH+H2O2 [J].

Bohn, B ;

Zetzsch, C .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (08) :1488-1493

[10] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

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