Abstract

Ab initio calculations have been carried out, indicating the ground state of C + 7 is cyclic (≈ 0.9 eV more stable than linear C + 7) but C 7 and C − 7 have linear ground states. Calculations also indicate that the ring opening transition state in C + 7 lies ≈ 2.3 eV above the ground state and is of near C 2v symmetry.

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