Abstract
The possibility of the nitrogen molecule forming a stable dimer is investigated. Through ab initio calculations in an extended contracted-gaussian basis, it is demonstrated that N4 in tetrahedral geometry and N3 + in D 3h geometry are local minimum points on their respective internuclear potential energy surfaces. The N4 molecule is considerably higher in energy than two ground-state N2 molecules and some study of the barrier for N4 decomposition has been made. The bond lengths and force constants for the two systems are shown to be similar to their hydrocarbon counterparts, C4H4 and C3H3 +, tetrahedrane and cyclopropenyl cation. Other related systems are discussed as well.
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