Stretching [8]cycloparaphenylene with encapsulated potassium cations: structural and theoretical insights into core perturbation upon four-fold reduction and complexation

Abstract

Structural and theoretical analysis of a highly-charged [8]cycloparaphenylene reveals drastic elliptic distortion and unique metal encapsulation of the macrocyclic host upon reduction.

Synthesis and electronic properties of bridged [8]-, [12]- and [16]-cyclo-para-phenylenes

“…Thus, the LUMO of the largest nanohoop [16]CPP4N (−2.26 eV) is higher than that of [12]CPP3N (−2.37 eV). This trend is identical to that previously made for the CPPs family 23,56 and is linked to the quinoidal shape of the LUMO (Fig. 3d).…”

Synthesis, Structural Characterization, and Reductive Cleavage of an Oxygen‐Containing Naphthyl Macrocycle

“…The coordination environment of the K + ion is completed by one terminal and one shared THF molecules (K–O THF : 2.722(7)– 2.742(1) Å). The K−C and K−O distances are analogous to those previously reported [12,25–28] . In the solid structure of 8 , the molecules are propagated into a 1D column along c axis through K−C coordination (Figure 4c).…”

Redox‐Active Hydrocarbons: Isolation and Structural Determination of Cationic States toward Advanced Response Systems

“…The X-ray analysis of anionic species consisting of pure hydrocarbons has been achieved only recently. [36][37][38][39][40][41][42][43][44] Since only a few examples of reversible redox response systems are available, they are not considered in this review. Heteroatom-containing hydrocarbons are also excluded from this review because the effect of the introduction of heteroatoms on the redox properties has been well-investigated and reported in several papers.…”

“…In this review, we focus on examples of succeeding in isolation and structural determination of cationic species based on pure hydrocarbons with aromatic rings and introduce the intrinsic electrochemical and spectroscopic properties of such hydrocarbons. The X‐ray analysis of anionic species consisting of pure hydrocarbons has been achieved only recently [36–44] . Since only a few examples of reversible redox response systems are available, they are not considered in this review.…”