Photochemical Studies of Hydrogen Peroxide in Solid Rare Gases:  Formation of the HOH···O(<sup>3</sup>P) Complex

Pehkonen, Susanna; Pettersson, Mika; Lundell, Jan; Khriachtchev, Leonid; Räsänen, Markku

doi:10.1021/jp982111e

Cited by 60 publications

(101 citation statements)

References 47 publications

(67 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[34] This complex has been studied by IR spectroscopy combined with quantum chemical calculations at the MP2 level in various basis sets up to 6-311 + + G(3d,3p). [35] The quantum chemical calculations performed at the UMP2/ 6-311 + + G(3d,3p) level confirmed the structure and the assignment of IR absorption bands proposed on the basis of the experimental study. The optimized geometry of the complex corresponds to the open hydrogen-bonded bent structure shown in Figure 3.…”

Section: Complexes Of H 2 O With Atomic Oxygensupporting

confidence: 66%

“…This process has been investigated in detail in matrix isolation studies and quantum chemical calculations. [34,35] It was found that the HOC radicals formed from the photolysis of H 2 O 2 (under 193 nm laser irradiation) in an argon matrix form a hydrogen-bonded complex between a water molecule and a triplet oxygen atom HÀOÀH···O( 3 P) in high (80 %) yield. [34] This complex has been studied by IR spectroscopy combined with quantum chemical calculations at the MP2 level in various basis sets up to 6-311 + + G(3d,3p).…”

Section: Complexes Of H 2 O With Atomic Oxygenmentioning

confidence: 99%

“…It has been shown [34,35] that H 2 O 2 is evolved from the photolysis products and the complex H 2 O·O is an initial intermediate of this reaction. It has also been demonstrated that the sum of the H 2 O 2 , H 2 O·O, and HOC radical pair concentrations is a constant during the process, which indicates the close nature of the photochemical process [Eq.…”

Section: Complexes Of H 2 O With H 2 Omentioning

confidence: 99%

See 2 more Smart Citations

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants

Сенников¹,

Ignatov²,

Schrems³

2005

ChemPhysChem

100

View full text Add to dashboard Cite

Experimental observations and data from quantum chemical calculations on complexes between water molecules and small, oxygen‐containing inorganic species that play an important role as oxidants in the atmosphere (O(1D), O(3P), O2(X3Σg), O2(b1Σg+), O3, HO, HOO, HOOO, and H2O2) are reviewed, with emphasis on their structure, hydrogen bonding, interaction energies, thermodynamic parameters, and infrared spectra. In recent years, weakly bound complexes containing water have increasingly attracted scientific attention. Water in all its phases is a major player in the absorption of solar and terrestrial radiation. Thus, complexes between water and other atmospheric species may have a perceivable influence on the radiative balance and contribute to the greenhouse effect, even though their concentrations are low. In addition, they can play an important role in the chemistry of the Earth's atmosphere, particularly in the oxidation of trace gases. Apart from gas‐phase complexes, the interactions of oxidants with ice surfaces have also received considerable advertency lately due to their importance in the chemistry of snow, ice clouds, and ice surfaces (e.g., ice shields in polar regions). In paleoclimate—respectively paleoenvironmental—studies, it is essential to understand the transfer processes from the atmosphere to the ice surface. Consequently, special attention is being paid here to the intercomparison of the properties of binary complexes and the complexes and clusters of more complicated compositions, including oxidants adsorbed on ice surfaces, where ice is considered a kind of large water cluster. Various facts concerning the chemistry of the Earth's atmosphere (concentration profiles and possible influence on radical reactions in the atmosphere) are discussed.

show abstract

Section: Complexes Of H 2 O With Atomic Oxygensupporting

confidence: 66%

Section: Complexes Of H 2 O With Atomic Oxygenmentioning

confidence: 99%

Section: Complexes Of H 2 O With H 2 Omentioning

confidence: 99%

See 1 more Smart Citation

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants

Сенников¹,

Ignatov²,

Schrems³

2005

ChemPhysChem

100

View full text Add to dashboard Cite

show abstract

“…It is worth mentioning that the hydrogen bonded complex to the oxygen atom HOHÁ Á ÁO( 3 P) was detected in low temperature matrices by Pehkonen et al 36 Recently, Cozzarín et al 37 reported the formation of the OCÁ Á ÁS complex after irradiation of OCS/Ar matrices. To the best of our knowledge the SÁ Á ÁHCN complex observed here is the second molecular complex with atomic sulfur ( 3 P) detected experimentally, and the first being of the hydrogen bond type.…”

Section: Resultsmentioning

confidence: 98%

New data on photochemistry of the interstellar molecule: HNCS. Identification of the S⋯HCN complex

Krupa

Kosendiak

Wierzejewska

2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Phototransformations of isothiocyanic acid (HNCS) induced by tunable UV laser were studied in low-temperature matrices. Two isomers of the precursor HNCS molecule are formed during UV irradiation of HNCS/Ar and HNCS/N2 samples: thiocyanic acid (HSCN) and isothiofulminic acid (HSNC). In addition, a complex between hydrogen cyanide and a ground state ((3)P) sulfur atom appears at irradiation with wavelength λ < 290 nm. The vibrational bands of the SHCN complex are observed at 3217.0 and 746.5 cm(-1) in Ar and 3223.5 and 764.5/752.0 cm(-1) in N2. At the beginning of irradiation SHCN is produced from the HNCS precursor. At longer times the main sources of the complex are HSCN and HSNC species. In solid nitrogen, HCN monomers are observed besides SHCN, indicating efficient escape of atomic sulfur out of the matrix cage occupied by the precursor. Differences in the extent of the observed processes are discussed in relation to the wavelength of the UV radiation applied and the type of matrices. Results of the computational studies on the SHCN geometry and infrared spectra are presented and compared with experimental data.

show abstract

“…10 Matrix-isolation infrared (IR) spectroscopy has been shown to be a powerful method to study intermolecular interactions, including those with phenol. [17][18][19][20][21][22][23][24][25] The early studies of self-association of phenol in argon and nitrogen matrices yielded the characteristic OH stretching bands of phenol monomer, dimer, and some multimers. 22 The recent experiments in argon matrices have indicated the formation of the H-bonded phenol dimer and phenol· · ·H 2 O complex.…”

Section: Introductionmentioning

confidence: 99%

Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization

Cao

Andrijchenko

Ahola

et al. 2012

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

Intermolecular complexes of phenol with xenon and nitrogen are studied by infrared absorption spectroscopy in a neon matrix and by quantum chemistry calculations. The π complex is theoretically the most stable 1:1 phenol⋅⋅⋅Xe structure, but it has no characteristic shifts in the calculated vibrational spectrum, which complicates its experimental characterization. However, the formation of the π complex finds indirect but significant support from the experimental results. The calculated spectrum of the less stable H-bonded complex shows a number of characteristic absorptions, but they are not observed in the experiment, indicating the lack of its formation. For the phenol⋅⋅⋅Xe(n) (n = 2-4) complexes, the calculations predict substantial changes in the vibrational spectra, and the corresponding bands are observed in the matrices with large concentrations of xenon. Our experiments show the high efficiency of the formation of large xenon clusters in a neon matrix that can accommodate a major part of phenol molecules. In contrast to the case of xenon, the H-bonded 1:1 phenol⋅⋅⋅N(2) complex is found in a neon matrix, and the formation of large N(2) clusters embedding phenol molecules is relatively inefficient.

show abstract

Photochemical Studies of Hydrogen Peroxide in Solid Rare Gases: Formation of the HOH···O(³P) Complex

Cited by 60 publications

References 47 publications

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants

New data on photochemistry of the interstellar molecule: HNCS. Identification of the S⋯HCN complex

Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization

Contact Info

Product

Resources

About

Photochemical Studies of Hydrogen Peroxide in Solid Rare Gases: Formation of the HOH···O(3P) Complex

Cited by 60 publications

References 47 publications

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H2O Complexes with Oxidants

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H2O Complexes with Oxidants

New data on photochemistry of the interstellar molecule: HNCS. Identification of the S⋯HCN complex

Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization

Contact Info

Product

Resources

About

Photochemical Studies of Hydrogen Peroxide in Solid Rare Gases: Formation of the HOH···O(³P) Complex

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H₂O Complexes with Oxidants