On the structure and composition of carbon nitride
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abstract
The role of the nonbonded NN repulsions of the recently proposed "-C3N4" structure is considered. The importance of these repulsions raises questions about the composition of carbon nitride samples so far prepared, with the suggestion that nitrogen content of crystalline particles in such preparations is substantially below the 57% limit implied by the -C3N4 formulation. A modification of the proposed structure is offered in which nitrogen centers subject to the greatest crowding in -C3N4 are replaced by CC bonded dimers. 1995.