Abstract

The six dimensional potential energy surface of the ground state X 1Σ+ of CCNN has been generated by the CCSD(T) approach. The quartic force field in dimensionless normal coordinates has been evaluated. This force field has been used to calculate a set of spectroscopic constants. The lowest singlet states are also investigated. The bound ground state has a potential energy barrier to dissociation due to an avoided crossing with the excited d 1Σ+ state. The other singlet states are found to be repulsive with respect to the dissociation into C2 and N2.

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