Molecular PO/sub 2/Cl: matrix IR investigations and ab initio SCF calculations
Journal Article
·
· J. Am. Chem. Soc.; (United States)
PO/sub 2/Cl produced by a photochemical reaction between O/sub 3/ and POCl in solid Ar has been studied by IR spectroscopy. The same species is formed in a high-temperature reaction between POCl/sub 3/, O/sub 2/, and Ag. IR spectra including /sup 16/O//sup 18/O and /sup 35/Cl//sup 37/Cl shifts show that the OPO angle is about 135/sup 0/ and that the PCl bond is unexpectedly strong (f(PCl) = 3.7 mdyn A/sup -1/). These results are confirmed by ab initio SCF calculations. Bonding in PO/sub 2/Cl is compared with that of similar molecules.
- Research Organization:
- Universitaet Karlsruhe, West Germany
- OSTI ID:
- 5532372
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:13; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500* -- Photochemistry
BOND ANGLE
BOND LENGTHS
CHEMICAL REACTIONS
CHLORINE 35
CHLORINE 37
CHLORINE COMPOUNDS
CHLORINE ISOTOPES
DATA
DIMENSIONS
EVEN-EVEN NUCLEI
EXPERIMENTAL DATA
FUNCTIONS
HALOGEN COMPOUNDS
INFORMATION
INFRARED SPECTRA
ISOTOPE EFFECTS
ISOTOPES
LENGTH
LIGHT NUCLEI
MATRIX ISOLATION
MECHANICS
MOLECULAR STRUCTURE
NUCLEI
NUMERICAL DATA
ODD-EVEN NUCLEI
OXYGEN 16
OXYGEN 18
OXYGEN COMPOUNDS
OXYGEN ISOTOPES
OZONE
PHOSPHORUS COMPOUNDS
PHOTOCHEMICAL REACTIONS
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
STABLE ISOTOPES
WAVE FUNCTIONS
400500* -- Photochemistry
BOND ANGLE
BOND LENGTHS
CHEMICAL REACTIONS
CHLORINE 35
CHLORINE 37
CHLORINE COMPOUNDS
CHLORINE ISOTOPES
DATA
DIMENSIONS
EVEN-EVEN NUCLEI
EXPERIMENTAL DATA
FUNCTIONS
HALOGEN COMPOUNDS
INFORMATION
INFRARED SPECTRA
ISOTOPE EFFECTS
ISOTOPES
LENGTH
LIGHT NUCLEI
MATRIX ISOLATION
MECHANICS
MOLECULAR STRUCTURE
NUCLEI
NUMERICAL DATA
ODD-EVEN NUCLEI
OXYGEN 16
OXYGEN 18
OXYGEN COMPOUNDS
OXYGEN ISOTOPES
OZONE
PHOSPHORUS COMPOUNDS
PHOTOCHEMICAL REACTIONS
QUANTUM MECHANICS
SELF-CONSISTENT FIELD
SPECTRA
STABLE ISOTOPES
WAVE FUNCTIONS