Solution structures of alkali metal cyclopentadienides in THF estimated by ECC-DOSY NMR-spectroscopy (incl. software)

Abstract

In this paper we present the aggregational motifs of the widely used alkali-metal cyclopentadienides (CpLi, CpNa, CpK, CpRb, CpCs) in THF-d₈ solution estimated by ECC-DOSY NMR spectroscopy. They form monomeric contact ion pairs (CIPs) in THF-d₈ solution, whereas in NH₃ solvent-separated ion pairs (SSIPs) are observed. The applicability of ECC-DOSY is further advanced by introducing ECC-MW estimation software.