Abstract
AbstractThe structures of P2 + P2+ were studied with ab initio calculations at the ROHF and UHF levels with the 6‐31G* basis set. The geometries and dissociation energies for the four selected structures–collinear, T‐shaped, regular trapezoid, and elongated tetrahedral–were studied in comparison with N2 + N2+. The trade‐off of the intramolecular π bond for the intermolecular σ bond for the P4+ system results in its larger dissociation energies and more substantial changes in bond distances than those in the N4+ system. © 1995 John Wiley & Sons, Inc.
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