500116-50-7

Basic information

• Product Name: [(C₃₀H₁₀N₆O₂)(C₆F₅)6]Cu₂
• Synonyms: [(C₃₀H₁₀N₆O₂)(C₆F₅)6]Cu₂
• CAS NO: 500116-50-7
• Molecular Weight: 1615.89
• Mol File: 500116-50-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: [(C₃₀H₁₀N₆O₂)(C₆F₅)6]Cu₂(CAS DataBase Reference)
• NIST Chemistry Reference: [(C₃₀H₁₀N₆O₂)(C₆F₅)6]Cu₂(500116-50-7)
• EPA Substance Registry System: [(C₃₀H₁₀N₆O₂)(C₆F₅)6]Cu₂(500116-50-7)

Safety Data

• Hazardous Substances Data: 500116-50-7(Hazardous Substances Data)

Upstream product

• 142-71-2 copper diacetate 
• 864429-34-5 meso-hexakis(pentafluorophenyl)-[26]-hexaphyrin(1.1.1.1.1.1) 

Relevant articles and documents

Comparative photophysical properties of free-base, bis-Zn(II), bis-Cu(II), and bis-Co(II) doubly N-confused hexaphyrins(1.1.1.1.1.1)

We have comparatively investigated the photophysics of a series of bis-metal doubly N-confused hexaphyrins(1.1.1.1.1.1) using time-resolved fluorescence, femtosecond transient absorption, two-photon absorption measurements, and geometry-optimized ab initio calculations. Bis-Zn(II) and free-base doubly N-confused hexaphyrins exhibit well-resolved and red-shifted B- and Q-like absorption bands compared with porphyrins. Their allowed transitions are (π,π*) transitions of the hexaphyrin ring, as confirmed by the HOMO and LUMO frontier orbitals based on ab initio calculations at the B3LYP/6-31G level. On the other hand, the absorption spectra of bis-Cu(II) and bis-Co(II) doubly N-confused hexaphyrins are relatively broad, presumably due to large couplings between the metal d-orbitals and π-electrons of the hexaphyrin ring. Owing to these couplings, bis-Cu(II) and bis-Co(II) doubly N-confused hexaphyrins have much shorter excited-state lifetimes of 9.4 ± 0.3 ps and 670 fs, respectively, than those (267 ± 16 and 62.4 ± 1.2 ps, respectively) of bis-Zn(II) and free-base doubly N-confused hexaphyrins. The two-photon absorption cross section (σ(2)) values, which are believed to depend strongly on the ring planarity (π-conjugation), are in line with the excited-state lifetime trends.

Doubly N-confused hexaphyrin: A novel aromatic expanded porphyrin that complexes bis-metals in the core

Meso-hexakis(pentafluorophenyl)-substituted doubly N-confused hexaphyrins and their metal complexes were synthesized for the first time, and the structures were elucidated by X-ray single-crystal analyses. The free base form of oxidized hexaphyrin (5) had two preorganized N3O pockets in the macrocyclic core, where a hydrogen-bonding network was formed to keep the molecule planar (the mean plane deviation is 0.054 A). The formation of a planar bis-Cu(II) complex was confirmed by UV/vis, magnetic susceptibility measurements, and X-ray crystallography. The bis-Ni(II) complex (7), on the other hand, was distored from planarity, but it changed to the planar structure upon solvent (acetonitrile) coordination as judged by the observation of a sharp Soret-like band in absorption spectra and the X-ray structures of the complexes. Copyright