RT Journal Article T1 Aggregation of one-dimensional wires: The case of long oligoynes A1 Gordillo Gámez, Fernando A1 Gao, Yueze A1 Aragó, Juan A1 Ortí, Enrique A1 Aranda, Daniel A1 Kertesz, Miklos A1 Tykwinski, Rik R. A1 Casado, Juan K1 Química física K1 Química - Notación K1 Moléculas AB We show an unexpected aggregation phenomenon of a long oligoyne (Py[16]) with 16 contiguous triple bonds and endcapped with bulky 3,5-bi(3,5-bis-tert-butylphenyl)pyridine groups. Aggregation of 1D π-conjugated oligoyne chains is rare given the minimal π–π intermolecular interactions as well as its flexibility that works against self-assembly. In dilute solutions, the reversible aggregation of Py[16] initiates at low temperature in the range of 140–180 K, and is not observed for shorter oligoynes in this series. Cryogenic UV/Vis electronic absorption spectra and vibrational Raman spectra with different laser wavelength lines tuning from in-resonance to off-resonance conditions have been used to extract the vibrational features characterizing the monomer and aggregate species. Theoretical calculations complement the spectroscopic findings. PB Wiley YR 2024 FD 2024 LK https://hdl.handle.net/10630/32853 UL https://hdl.handle.net/10630/32853 LA eng NO F. Gordillo-Gámez, Y. Gao, J. Aragó, E. Ortí, D. Aranda, M. Kertesz, R. R. Tykwinski, J. Casado, Angew. Chem. Int. Ed. 2024, 63, e202404014. https://doi.org/10.1002/anie.202404014 NO Funding for open access charge: Universidad de Málaga / CBUA DS RIUMA. Repositorio Institucional de la Universidad de Málaga RD 23 ene 2026