Remitid 2 Auourt 1971. .' \_-An extensive open-shell SCF investigation of the H30 poiential surface is reported; The Ha0 radicai is predicted to-ha.-a pyramidal &ili[;rium geometry with a low inversion barrier of approximately 2 kcai/moIe. T&e barrier to .. dissociation into H.LO('AI) +~H(2S) is fot
On the ESR spectra of matrix-stabilized hydronium radicals H3O and D3O
β Scribed by N.D. Chyvylkin; G.M. Zhidomirov
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 120 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The results of INDO calculations do not support the discovery of the I-i30 free radical_ Recently Martin and Swift [I ] came to the conelusion that they had clearly demonstrated "the first direct and unequivocal evidence for the hydronium radical" H,O. Their H30 spectrum is characteristic of a free radical that has axial symmetry with three equivalent hydrogen atoms. x similar spectrum could arise from such free radicals as BHF, CH,, NH;,
π SIMILAR VOLUMES
The reaction of CF3 radicals with Ha0 (D20) has been studied over the range of 533-723 K using the photolysis and the pyrolysis of CFJ as the free radical source. Arrhenius pa- rameters for the reactions where X = H or D, relative to CF:j radical recombination are given by log kHlkf'2 = (5.12 f 0.1
ESR spectra of the defect crAlzO~:Co"' ,H\* are reported and used to derive the magnetic tensorsg and A. This defect is shown to exist in ssvenl types, and models in the framework of the a-All03 srructures are proposed.
OMS Letters ## Dear Sir Hypervalent Radicals ; the Generation of CH,O(H)CH, , CH,O(H)C,H, and Their O-(D) Analogues by Neutralization of the Corresponding Cations
The mechanism of H$O4 formation via the reaction steps, SO1 t O$SO "\*' 3-(SO,: H,O) +H,SO,, has been investigated at low temperature in an argon matrix. Photooxydation of SO2 mainly occurs through the SO\*: O3 pairs. Photolysis of a SOI-H20-0, mixture did not lead to the H,SO, molecule. The I : 1 H