Structure of BCl/sub 2/: ESR study of an x-irradiated crystal of BCl/sub 3/
X irradiation of a single crystal of boron trichloride at 77 K yields at least two different radicals. A brief exposure to UV irradiation, however, leaves only one radical whose ESR spectrum shows hyperfine coupling from one boron (/sup 10/B, /sup 11/B) and two equivalent chlorine (/sup 35/Cl, /sup 37/Cl) nuclei and which is identified as BCl/sub 2/. The g tensor, /sup 11/B magnetic hyperfine tensor, /sup 35/Cl magnetic and quadrupole hyperfine tensors have been determined and analyzed in terms of the radical's electronic structure. Problems arising in relating the principal direction of the various tensors to the molecular geometry are discussed. BCl/sub 2/ is nonlinear with a ClBCl angle of approximately 122/sup 0/ and with the unpaired electron mainly localized on the boron atom.
- Research Organization:
- Department of Chemical Physics, University of Geneva, 30, Quai E.-Ansermet, 1211 Geneve, Switzerland
- OSTI ID:
- 6537908
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:2; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400300* -- Organic Chemistry-- (-1987)
BORON CHLORIDES
BORON COMPOUNDS
CHEMICAL RADIATION EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
CHLORIDES
CHLORINE COMPOUNDS
CRYSTALS
DECOMPOSITION
ELECTROMAGNETIC RADIATION
ELECTRON SPIN RESONANCE
HALIDES
HALOGEN COMPOUNDS
HYPERFINE STRUCTURE
IONIZING RADIATIONS
MAGNETIC RESONANCE
MONOCRYSTALS
RADIATION CHEMISTRY
RADIATION EFFECTS
RADIATIONS
RADICALS
RADIOLYSIS
RESONANCE
X RADIATION