<i>D</i>₅_<i>h</i> Cu₅H₅X: Pentagonal Hydrocopper Cu₅H₅ Containing Pentacoordinate Planar Nonmetal Centers (X = B, C, N, O)

Abstract

Abstract Pentacoordinate planar nonmetals (PPNs) centered in perfect pentagonal hydrocopper complexes Cu 5 H 5 X (X = B, C, N, O), as determined by density functional theory methods, are presented in this communication. The results obtained in this work complete the hypercoordinate planar carbon series with high symmetries ( D 4 h , D 5 h , and D 6 h ), and may shed new insight in catalyst chemistry. (© Wiley‐VCH Verlag GmbH &amp; Co. KGaA, 69451 Weinheim, Germany, 2004)