Energetic features of antiparallel stacking and hydrogen bonding interactions in two coordination complexes bearing 1,10-phenanthroline-2,9-dicarboxylic acid

Mahmood Akbari,Masoud Mirzaei,Amir Sh Saljooghi, Samaneh Sadeghzadeh,Nahid Lotfian,Maral Aghamohammadi,Behrouz Notash,Joel T. Mague,Rosa M. Gomila,Antonio Frontera

Journal of Molecular Structure（2022）

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摘要

•Two new cobalt and cerium complexes with π-extended organic ligands have been synthesized and characterized.•Cerium complex with 1,10-phenanthroline-2,9-dicarboxylate (PDA) and water form of left-handed and right-handed helices.•Cobalt complex with PDA and 1,10-phenanthroline (phen) has a strong tendency to form antiparallel π-stacking assemblies.•Supramolecular assemblies studied by means of DFT calculations.

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关键词

Antiparallel π···π stacking interaction,Cerium,Cobalt,Single-crystal X-ray crystallography,Noncovalent interaction

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