ĊH3⋅⋅⋅13CO2 pairs in irradiated single crystals of CH313CO2Li⋅2D20

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Abstract
The ĊH3 radical trapped in irradiated single crystals of CH3 13CO2Li⋅2D2O has been found to interact with a 13CO2 molecule, which is formed from the C–C bond breakage as a counterpart. The 13C superhyperfine coupling tensor was determined to be (−4.0, −3.3, −3.5) G. The 13CO2 molecule is located in the direction of the unpaired electron orbital of ĊH3 with the molecular axis perpendicular to it. The spectrum arising from the electron excess center CH3 13ĊO22− was also detected together with the ĊH3 radical. Our results indicate that the ĊH3⋅⋅⋅13CO2 pair is essentially a positive hole center formed from one electron loss followed by the C–C bond breakage.

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