The first example of cofacial bis(dipyrrins)

Jude Deschamps (1) , Yi Chang (2) , Adam Langlois (1) , Nicolas Desbois (2) , Claude P. Gros (2) , Pierre D. Harvey (1)

1 UdeS - Département de chimie [Sherbrooke]
2 ICMUB - Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon]

Two series of cofacial bis(dipyrrins) were prepared and their photophysical properties as well as their bimolecular fluorescence quenching with C-60 were investigated. DFT and TDDFT computations were also performed as a modeling tool to address the nature of the fluorescence state and the possible inter-chromophore interactions. Clearly, there is no evidence for such interactions and the bimolecular quenching of fluorescence, in comparison with mono-dipyrrins, indicates that C-60-bis(dipyrrin) contacts occur from the outside of the "mouth" of the cofacial structure.

Mots clés: molecular-orbital methods; singlet energy transfers; extended basis-sets; valence basis-sets; density-functional theory; light-harvesting systems; organometallic compounds; excitation-energies; transition-metals; 2nd-row elements

Domaines: Chimie

Jude Deschamps, Yi Chang, Adam Langlois, Nicolas Desbois, Claude P. Gros, et al.. The first example of cofacial bis(dipyrrins). New Journal of Chemistry, 2016, 40 (7), pp.5835 - 5845. ⟨10.1039/c5nj03347k⟩. ⟨hal-01427985⟩