Quantitative analysis of bonding in P₄ clusters

Abstract

Abstract Quantum‐topological analysis based on the nonempirical quantum‐chemical calculations of P 4 clusters in the different electronic states has been done. Changes in the geometric parameters for the different electronic states of the equilibrium phosphorus clusters and structures with the breaking bonds are traced. The PP bonds are quantitatively described. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:572–578, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20279