Chemistry and dynamics of NO/sub 3/ produced by photolysis of N/sub 2/O/sub 5/. [NO/sub 3/]
Technical Report
·
OSTI ID:5413140
The results of several different studies involving the nitrate radical (NO/sub 3/) are reported in this work. The method of Flash Photolysis/Laser Absorption was used to measure directly the quantum yield for NO/sub 3/ production from UV photolysis of N/sub 2/O/sub 5/. Several product channels are possible at UV wavelengths. Although previous indirect studies indicated that the major products were 2 NO/sub 2/ + O, this work has shown that NO/sub 3/ is a primary product. The quantum yield of NO/sub 3/ obtained for photolysis at 249 nm was 0.90 +- 14 independent of pressure and N/sub 2/O/sub 5/ concentration. A fast rise in the concentration of NO/sub 3/ was observed which was dependent on both pressure and N/sub 2/O/sub 5/ concentration. The rate constants obtained for the deactivation process NO/sub 3/(nu > 0) + M ..-->.. No/sub 3/(nu = 0) + M were k(N/sub 2/O/sub 5/) = 4.0 +- 1.0 x 10/sup -12/ cm/sup 3/sec/sup -1/ and k(N/sub 2/) = 1.6 +- 0.3 x 10/sup -13/ cm/sup 3/sec/sup -1/. The structure of NO/sub 3/ was investigated by ab initio calculational methods. Geometry optimization gave a /sup 2/B/sub 2/ ground state of C/sub 2v/ symmetry with N-O bond distances R/sub 1/ = 1.34A, R/sub 2,3/ = 1.18A and unique angle THETA = 132/sup 0/. This structure was found to be 33.6 kcal/mole lower in energy than the optimized D/sub 3h/ structure (R = 1.21A). Calculated vibrational frequencies were consistent with those recently observed experimentally. 52 refs., 31 figs., 22 tabs.
- Research Organization:
- Lawrence Berkeley Lab., CA (USA)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 5413140
- Report Number(s):
- LBL-20043; ON: DE85017657
- Country of Publication:
- United States
- Language:
- English
Similar Records
NO/sub 3/ quantum yields from N/sub 2/O/sub 5/ photolysis. [N/sub 2/O/sub 5/]
Photochemistry and kinetics of the O/sub 2/*-HI system. [CF/sub 3/I, n-C/sub 3/F/sub 7/I]
Absolute photodissociation quantum yields of NO/sub 3/ and N/sub 2/O/sub 5/ by tunable laser flash photolysis-resonance fluorescence
Journal Article
·
Thu Jul 05 00:00:00 EDT 1984
· J. Phys. Chem.; (United States)
·
OSTI ID:6614338
Photochemistry and kinetics of the O/sub 2/*-HI system. [CF/sub 3/I, n-C/sub 3/F/sub 7/I]
Technical Report
·
Mon Sep 10 00:00:00 EDT 1984
·
OSTI ID:5490187
Absolute photodissociation quantum yields of NO/sub 3/ and N/sub 2/O/sub 5/ by tunable laser flash photolysis-resonance fluorescence
Technical Report
·
Wed Oct 31 23:00:00 EST 1979
·
OSTI ID:5772830
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500* -- Photochemistry
BOND ANGLE
BOND LENGTHS
CALCULATION METHODS
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
DATA
DECOMPOSITION
DIMENSIONS
ELECTROMAGNETIC RADIATION
ENERGY LEVELS
EXPERIMENTAL DATA
FLUORESCENCE
GROUND STATES
INFORMATION
KINETICS
LASER RADIATION
LENGTH
LUMINESCENCE
MOLECULAR STRUCTURE
NITROGEN COMPOUNDS
NITROGEN OXIDES
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
RADIATIONS
RADICALS
REACTION KINETICS
THEORETICAL DATA
ULTRAVIOLET RADIATION
YIELDS
400500* -- Photochemistry
BOND ANGLE
BOND LENGTHS
CALCULATION METHODS
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
DATA
DECOMPOSITION
DIMENSIONS
ELECTROMAGNETIC RADIATION
ENERGY LEVELS
EXPERIMENTAL DATA
FLUORESCENCE
GROUND STATES
INFORMATION
KINETICS
LASER RADIATION
LENGTH
LUMINESCENCE
MOLECULAR STRUCTURE
NITROGEN COMPOUNDS
NITROGEN OXIDES
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
RADIATIONS
RADICALS
REACTION KINETICS
THEORETICAL DATA
ULTRAVIOLET RADIATION
YIELDS