Stationary points on the potential energy surfaces of (C2H2)2, (C2H2)3, and (C2H4)2

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Abstract
Minima on the potential energy surfaces of (C2H2)2, (C2H2)3, and (C2H4)2 have been located by ab initio methods, using the Mo/ller–Plesset second‐order (MP2) procedure, with a DZP basis set. For (C2H2)2, a T‐shaped structure is predicted and for (C2H2)3, a C3h structure. For (C2H4)2 there are two candidates, a T‐shaped structure and a staggered‐parallel structure, and it is difficult to distinguish between them. Other stationary points have been located on the surfaces, but they are all found to be transition states, by the method of analytic second derivatives. Existing experimental data is insufficient to decide unequivocally as to the geometry of the minima. These calculations appear to resolve these questions and there is no contradiction with the data.